天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 4870-65-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 4870-65-9
Chemical Structure| 4870-65-9
Structure of 4870-65-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 4870-65-9 ]

Related Doc. of [ 4870-65-9 ]

Alternatived Products of [ 4870-65-9 ]
Product Citations

Product Details of [ 4870-65-9 ]

CAS No. :4870-65-9 MDL No. :MFCD00004206
Formula : C8H7BrO2 Boiling Point : -
Linear Structure Formula :- InChI Key :WAKFRZBXTKUFIW-UHFFFAOYSA-N
M.W : 215.04 Pubchem ID :97919
Synonyms :

Calculated chemistry of [ 4870-65-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 45.86
TPSA : 37.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.42
Log Po/w (XLOGP3) : 2.28
Log Po/w (WLOGP) : 1.88
Log Po/w (MLOGP) : 2.14
Log Po/w (SILICOS-IT) : 1.91
Consensus Log Po/w : 1.93

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.88
Solubility : 0.283 mg/ml ; 0.00131 mol/l
Class : Soluble
Log S (Ali) : -2.7
Solubility : 0.429 mg/ml ; 0.00199 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.68
Solubility : 0.451 mg/ml ; 0.0021 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.0

Safety of [ 4870-65-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P261-P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H302-H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 4870-65-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 4870-65-9 ]

[ 4870-65-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 4870-65-9 ]
  • [ 62-53-3 ]
  • [ 3684-12-6 ]
YieldReaction ConditionsOperation in experiment
97% α-Bromophenylacetic acid (5.01 g, 23.2 mmol.) is dissolved in aniline (25 mL, 274 mmol) and the mixture reacted in a closed vessel under MW irradiation at 1200C for 5 min (LC-MS monitoring: complete conversion). Dichloromethane (DCM) (100 mL) is added to the reaction mixture and the resulting solid is filtered; 2M Na2CO3 (50 mL) is added to the solution, and the aqueous layer is washed with DCM (3x100 mL). The aqueous layer is acidified with 12N HCl (36 mL) and the title compound is recovered as racemic mixture by filtration (5.1 g, 97% yield, white solid).
97% at 120℃; for 0.0833333h;microwave irradiation; a-Bromophenylacetic acid (5.01 g, 23.2 mmol) was dissolved in aniline (25 ml, 274 mmol) and the mixture reacted in a closed vessel under microwave irradiation at 120C for 5 min (UPLC-MS monitoring: complete conversion). Dichloromethane (DCM) (100 ml) was added to the reaction mixture and the resulting solid was filtered; 2M Na2CO3 (50 ml) was added to the solution, and the aqueous layer was washed with DCM (3x100 ml). The aqueous layer was acidified with 12N HC1 (36 ml) and the title compound was recovered as racemic mixture by filtration (5.1 g, 97% yield).
97% at 120℃; for 0.0833333h;microwave irradiation; a-Bromophenylacetic acid (5.01 g, 23.2 mmol.) was dissolved in aniline (25 ml, 274 mmol) and the mixture reacted in a closed vessel under microwave irradiation at 120C for 5 min (UPLC-MS monitoring: complete conversion). Dichloromethane (DCM) (100 ml) was added to the reaction mixture and the resulting solid was filtered; 2M Na2CO3 (50 ml) was added to the solution, and the aqueous layer was washed with DCM (3x100 ml). The aqueous layer was acidified with 12N HC1 (36 ml) and the title compound was recovered as racemic mixture by filtration (5.1 g, 97% yield).
24% In neat (no solvent); at 100℃; for 72h; 2-bromophenylacetic acid (2.15 g, 10.0 mmol) andaniline (4.09 g, 44.0 mmol) were heated at 100 C. for 72hours in the absence of a solvent the absence of a solvent.[0251] After cooling, the reaction mixture was dilutedwith ethyl acetate and extracted with 5% sodium hydroxide. The obtained aqueous phase was adjusted to a pHof 4 with IN hydrochloric acid and extracted with ethylacetate. The organic phase was dried over magnesiumsulfate and concentrated under reduced pressure The obtained crude product was recrystallized withwater-ethanol, thereby obtaining 560 mg (24.0%) of thetarget product 1H-NMR (acetone-d6)o: 2.02 (lH, bs), 5.15 (lH,s), 6.57 (lH, t, J=7.3 Hz), 6.67 (2H, d, J=8.8 Hz), 7.03 (2H,t, J=8.2 Hz), 7.27 (lH, t, J=7.3 Hz), 7.34(2H, t, J=8.1 Hz),7.55 (2H, d, J=7.8 Hz).

  • 2
  • [ 4870-65-9 ]
  • dichloromethane (DCM) [ No CAS ]
  • [ 3684-12-6 ]
YieldReaction ConditionsOperation in experiment
97% With sodium carbonate; In aniline; Preparation of 2-phenyl-2-(phenylamino)acetic acid (I1) α-Bromophenylacetic acid (5.01 g, 23.2 mmol) was dissolved in aniline (25 ml, 274 mmol), and the mixture reacted in a closed vessel under microwave irradiation at 120 C. for 5 minutes (UPLC-MS monitoring: complete conversion). Dichloromethane (DCM) (100 ml) was added to the reaction mixture, and the resulting solid was filtered; 2M Na2CO3 (50 ml) was added to the solution, and the aqueous layer was washed with DCM (3*100 ml). The aqueous layer was acidified with 12N HCl (36 ml) and the title compound was recovered as racemic mixture by filtration (5.1 g, 97% yield).
97% With sodium carbonate; In aniline; Preparation of 2-phenyl-2-(phenylamino)acetic acid (I1) α-Bromophenylacetic acid (5.01 g, 23.2 mmol) was dissolved in aniline (25 ml, 274 mmol), and the mixture was reacted in a closed vessel under microwave irradiation at 120 C. for 5 minutes (UPLC-MS monitoring: complete conversion). Dichloromethane (DCM) (100 ml) was added to the reaction mixture, and the resulting solid was filtered; 2M Na2CO3 (50 ml) was added to the solution, and the aqueous layer was washed with DCM (3*100 ml). The aqueous layer was acidified with 12N HCl (36 ml) and the title compound was recovered as racemic mixture by filtration (5.1 g, 97% yield).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 4870-65-9 ]

Aryls

Chemical Structure| 13737-36-5

[ 13737-36-5 ]

4-(Bromomethyl)phenylacetic acid

Similarity: 0.88

Chemical Structure| 111128-12-2

[ 111128-12-2 ]

2-(4-(Bromomethyl)phenyl)propanoic acid

Similarity: 0.80

Chemical Structure| 7398-42-7

[ 7398-42-7 ]

Methyl 2-(4-(bromomethyl)phenyl)acetate

Similarity: 0.79

Chemical Structure| 71783-54-5

[ 71783-54-5 ]

Methyl 2-bromo-2-(4-fluorophenyl)acetate

Similarity: 0.75

Chemical Structure| 712-52-7

[ 712-52-7 ]

Ethyl 2-bromo-2-(4-fluorophenyl)acetate

Similarity: 0.74

Bromides

Chemical Structure| 13737-36-5

[ 13737-36-5 ]

4-(Bromomethyl)phenylacetic acid

Similarity: 0.88

Chemical Structure| 111128-12-2

[ 111128-12-2 ]

2-(4-(Bromomethyl)phenyl)propanoic acid

Similarity: 0.80

Chemical Structure| 7398-42-7

[ 7398-42-7 ]

Methyl 2-(4-(bromomethyl)phenyl)acetate

Similarity: 0.79

Chemical Structure| 71783-54-5

[ 71783-54-5 ]

Methyl 2-bromo-2-(4-fluorophenyl)acetate

Similarity: 0.75

Chemical Structure| 712-52-7

[ 712-52-7 ]

Ethyl 2-bromo-2-(4-fluorophenyl)acetate

Similarity: 0.74

Benzyl bromides

Chemical Structure| 13737-36-5

[ 13737-36-5 ]

4-(Bromomethyl)phenylacetic acid

Similarity: 0.88

Chemical Structure| 111128-12-2

[ 111128-12-2 ]

2-(4-(Bromomethyl)phenyl)propanoic acid

Similarity: 0.80

Chemical Structure| 7398-42-7

[ 7398-42-7 ]

Methyl 2-(4-(bromomethyl)phenyl)acetate

Similarity: 0.79

Chemical Structure| 71783-54-5

[ 71783-54-5 ]

Methyl 2-bromo-2-(4-fluorophenyl)acetate

Similarity: 0.75

Chemical Structure| 712-52-7

[ 712-52-7 ]

Ethyl 2-bromo-2-(4-fluorophenyl)acetate

Similarity: 0.74

Carboxylic Acids

Chemical Structure| 13737-36-5

[ 13737-36-5 ]

4-(Bromomethyl)phenylacetic acid

Similarity: 0.88

Chemical Structure| 111128-12-2

[ 111128-12-2 ]

2-(4-(Bromomethyl)phenyl)propanoic acid

Similarity: 0.80

Chemical Structure| 215949-57-8

[ 215949-57-8 ]

2-(4-Bromo-3-methylphenyl)acetic acid

Similarity: 0.73

Chemical Structure| 29270-30-2

[ 29270-30-2 ]

2-Bromo-2-(2-chlorophenyl)acetic acid

Similarity: 0.72

Chemical Structure| 98434-44-7

[ 98434-44-7 ]

2-(2,4-Dibromophenyl)acetic acid

Similarity: 0.72

; ;