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. 112245-13-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 112245-13-3
Chemical Structure| 112245-13-3
Structure of 112245-13-3 * 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 [ 112245-13-3 ]

Related Doc. of [ 112245-13-3 ]

Alternatived Products of [ 112245-13-3 ]
Product Citations

Product Details of [ 112245-13-3 ]

CAS No. :112245-13-3 MDL No. :MFCD00192250
Formula : C6H15NO Boiling Point : No data available
Linear Structure Formula :(CH3)3CCH(CH2OH)NH2 InChI Key :JBULSURVMXPBNA-RXMQYKEDSA-N
M.W : 117.19 Pubchem ID :2734079
Synonyms :

Calculated chemistry of [ 112245-13-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 34.57
TPSA : 46.25 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.51
Log Po/w (XLOGP3) : 0.39
Log Po/w (WLOGP) : 0.35
Log Po/w (MLOGP) : 0.61
Log Po/w (SILICOS-IT) : 0.04
Consensus Log Po/w : 0.58

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.68
Solubility : 24.5 mg/ml ; 0.209 mol/l
Class : Very soluble
Log S (Ali) : -0.93
Solubility : 13.9 mg/ml ; 0.118 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.56
Solubility : 32.5 mg/ml ; 0.277 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.07

Safety of [ 112245-13-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 112245-13-3 ]

* 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 [ 112245-13-3 ]

[ 112245-13-3 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 112245-13-3 ]
  • [ 19547-38-7 ]
  • [ 117408-98-7 ]
  • 2
  • [ 34825-99-5 ]
  • [ 112245-13-3 ]
  • [ 148461-16-9 ]
  • 3
  • [ 24424-99-5 ]
  • [ 112245-13-3 ]
  • [ 153645-26-2 ]
YieldReaction ConditionsOperation in experiment
With lithium hydroxide; In n-heptane; at 100℃; for 3h;Reactivity (does not react); Comparative Example 1; According to the same manner as that described in Example 3, the reaction did not proceed and (S)-tert-leucinol and dimethyl cyclopropanedicarboxylate, which are starting materials, were recovered except that lithium methoxide was not used in Example 3.
  • 6
  • [ 6914-71-2 ]
  • [ 112245-13-3 ]
  • [ 874916-76-4 ]
YieldReaction ConditionsOperation in experiment
93 - 95% With lithium methanolate; In n-heptane; at 100℃; for 3h;Product distribution / selectivity; Example 2; According to the same manner as that described in Example 1, 1.28 g of a white powder of N,N'-bis[(S)-1-tert-butyl-2-hydroxyethyl]cyclopropane-1,1-dicarboxamide was obtained except that 980 mg (8.36 mmol) of (S)-tert-leucinol, 655 mg (4.14 mmol) of <strong>[6914-71-2]dimethyl 1,1-cyclopropanedicarboxylate</strong> and 7.9 mg (0.21 mmol) of lithium methoxide were used as each reaction agent. Yield: 94percent (based on <strong>[6914-71-2]dimethyl 1,1-cyclopropanedicarboxylate</strong>). 1H-NMR (delta: ppm, CD3S(O)CD3 solvent, TMS standard) 7.76 (d, J=9.56 Hz, 2H), 4.58 (t, J=5.20 Hz, 2H.), 3.72 (dt, J=9.34 Hz, J=3.50 Hz, 2H), 3.63-3.57 (m, 2H), 3.41-3.34 (m, 2H), 1.29-1.23 (m, 2H), 1.10-1.05 (m, 2H), 0.82 (s, 18H); Example 7-2 <Synthesis of N,N'-bis[(S)-1-tert-butyl-2-hydroxyethyl]cyclopropane-1,1-dicarboxamide>; According to the same manner as that described in Example 2, 1.28 g of a white powder of N,N'-bis[(S)-1-tert-butyl-2-hydroxyethyl]cyclopropane-1,1-dicarboxamide was obtained except that 980 mg (8.36 mmol) of (S)-tert-leucinol obtained in Example 7-1 was used. Yield: 93percent (based on <strong>[6914-71-2]dimethyl 1,1-cyclopropanedicarboxylate</strong>).; Example 8-2 <Synthesis of N,N'-bis[(S)-1-tert-butyl-2-hydroxyethyl]cyclopropane-1,1-dicarboxamide>; According to the same manner as that described in Example 2, 3.39 g of a white powder of N,N'-bis[(S)-1-tert-butyl-2-hydroxyethyl]cyclopropane-1,1-dicarboxamide was obtained except that 2.55 g (21.8 mmol) of (S)-tert-leucinol obtained in Example 8-1, 1.72 g (10.9 mmol) of <strong>[6914-71-2]dimethyl 1,1-cyclopropanedicarboxylate</strong> and 20.7 mg (0.54 mmol) of lithium methoxide were used. Yield: 95percent (based on <strong>[6914-71-2]dimethyl 1,1-cyclopropanedicarboxylate</strong>).
90% With lithium hydroxide; In n-heptane; at 100℃; for 3h;Product distribution / selectivity; Example 3; According to the same manner as that described in Example 2, 640 mg of a white powder of N,N'-bis[(S)-1-tert-butyl-2-hydroxyethyl]cyclopropane-1,1-dicarboxamide was obtained except that 507 mg (4.32 mmol) of (S)-tert-leucinol, 342 mg (2.16 mmol) of <strong>[6914-71-2]dimethyl 1,1-cyclopropanedicarboxylate</strong> and 4.5 mg (0.11 mmol) of lithium hydroxide monohydrate were used as each reaction agent. Yield: 90percent (based on <strong>[6914-71-2]dimethyl 1,1-cyclopropanedicarboxylate</strong>).
  • 7
  • [ 34619-03-9 ]
  • [ 112245-13-3 ]
  • [ 153645-26-2 ]
  • 8
  • [ 2631-77-8 ]
  • [ 112245-13-3 ]
  • [ 778625-56-2 ]
YieldReaction ConditionsOperation in experiment
79% With sodium sulfate; In ethanol; for 16h;Reflux; General procedure: Commercially available salicylaldehyde (1 mmol) and sodium sulfate(0.5 g) were added to a solution of (S)-tert-leucinol (1 mmol) or Lvalinol(1 mmol) in ethanol (20 mL). The reaction mixture was stirredunder reflux for 16 h, filtered, and concentrated under reducedpressure. The reaction mixture was then dissolved in dichloromethane(10 mL) and washed with water (3 × 10 mL) and brine (15 mL). Theorganic layer was dried and concentrated under reduced pressure toleave the crude product, which was purified by column chromatographyon silica gel (8:2 hexane/ethyl acetate) to yield the pure ligand. (S)-2-(N-3,5-Diiodosalicylidene)-amino-3,3-dimethyl-1-butanol(10, Table 4):.22,36 Yellow solid, 79%, mp 164-165 C (lit. mp163-164);22 1H NMR δH (300 MHz) 1.00 (9H, s), 2.53 (1H, brs),3.08 (1H, dd, J = 9.5 and 2.5 Hz), 3.68 (1H, dd, J = 11.1 and 9.8 Hz),3.93-4.07 (1H, brm), 7.51 (1H, d, J = 2.1 Hz), 8.01 (1H, d, J = 2.1Hz), 8.10 (1H, s); IR νmax/cm-1 (KBr) 3320, 2965, 1638, 1479, 1217,1060; [α]D20 = -18.5 (c 0.1, acetone), lit.22 [α]D20 = -16.6 (c 1.0 for S inacetone).
  • 9
  • [ 100-70-9 ]
  • [ 112245-13-3 ]
  • [ 117408-98-7 ]
  • 10
  • [ 1483-55-2 ]
  • [ 112245-13-3 ]
  • [ 944836-38-8 ]
Recommend Products
Same Skeleton Products
Historical Records

Similar Product of
[ 112245-13-3 ]

Chemical Structure| 352545-44-9

A1372174[ 352545-44-9 ]

(S)-2-Amino-3,3-dimethylbutan-1-ol hydrochloride

Reason: Free-salt

Related Functional Groups of
[ 112245-13-3 ]

Amino Acid Derivatives

Chemical Structure| 112245-09-7

[ 112245-09-7 ]

(R)-2-Amino-3,3-dimethylbutan-1-ol

Similarity: 1.00

Chemical Structure| 2026-48-4

[ 2026-48-4 ]

(S)-2-Amino-3-methylbutan-1-ol

Similarity: 0.95

Chemical Structure| 4276-09-9

[ 4276-09-9 ]

D-Valinol

Similarity: 0.95

Chemical Structure| 16369-05-4

[ 16369-05-4 ]

2-Amino-3-methylbutan-1-ol

Similarity: 0.95

Chemical Structure| 24629-25-2

[ 24629-25-2 ]

(2S,3S)-2-Amino-3-methylpentan-1-ol

Similarity: 0.86

; ;