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[ CAS No. 139163-43-2 ] {[proInfo.proName]}

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Chemical Structure| 139163-43-2
Chemical Structure| 139163-43-2
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Quality Control of [ 139163-43-2 ]

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Product Details of [ 139163-43-2 ]

CAS No. :139163-43-2 MDL No. :MFCD07368368
Formula : C6H14ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :OLMBOHVAVKHHTK-PGMHMLKASA-N
M.W : 167.63 Pubchem ID :12314685
Synonyms :
Chemical Name :(S)-2-Amino-3,3-dimethylbutanoic acid hydrochloride

Safety of [ 139163-43-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 139163-43-2 ]

* 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 [ 139163-43-2 ]

[ 139163-43-2 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 175416-53-2 ]
  • [ 139163-43-2 ]
  • 2
  • C13H19NO2*HCl [ No CAS ]
  • [ 139163-43-2 ]
  • 3
  • [ 28920-43-6 ]
  • [ 139163-43-2 ]
  • [ 132684-60-7 ]
  • 4
  • [ 929220-40-6 ]
  • [ 139163-43-2 ]
  • 5
  • [ 929220-45-1 ]
  • [ 139163-43-2 ]
  • 6
  • [ 1775-74-2 ]
  • [ 139163-43-2 ]
  • 7
  • (4S)-2-(2,2-dimethylpropyl)-4-phenyl-4,5-dihydrooxazole [ No CAS ]
  • [ 139163-43-2 ]
  • 8
  • [ 175226-69-4 ]
  • [ 139163-43-2 ]
  • 9
  • [ 62965-57-5 ]
  • [ 139163-43-2 ]
YieldReaction ConditionsOperation in experiment
85% With hydrogenchloride; water; for 24.0h;Heating / reflux; Synthesis of (S)-2-amino-3,3-d9-dimethylbutanoic acid hydrochloride (XXV, R2/3 = C(CD3)3).; A mixture of compound XXIIc (R2 = R3 = C(CD3)3) (31.0 g, 222.6 mmol) in 6M aqueous HCI solution (1.5 L) was heated at reflux for 24 hrs. The mixture was concentrated in vacuo to give the crude product. The solid was redissolved in water (500 mL) and washed with EtOAc (2x200mL) to remove impurities from previous steps. The aqueous layer was then concentrated in vacuo, chased with toluene, and dried under vacuum at 50C to afford the HCl salt of the desired compound (S)-2-amino-3,3-dimethylbutanoic acid-d9 hydrochloride (XXV, R2 = R3 = C(CD3)3) (33.6 g, 85% yield) as a white solid,
  • 10
  • [ 43049-56-5 ]
  • [ 139163-43-2 ]
  • [ 1092539-96-2 ]
YieldReaction ConditionsOperation in experiment
Synthesis of (S)-2-(d3-methoxycarbonylamino)-3,3-d9-dimethylbutanoic acid (XVII-d12).; To a solution of compound XXV (R2 = R3 = C(CD3)3) (4.42 g, 25.0 mmol) in a mixture of dioxane (12.5 mL) and 2M NaOH solution (60 mL) was added methyl chloroformate-d3 (5.0 g, 50.0 mmol, Cambridge Isotopes, 99 atom% D) dropwise, keeping the internal temperature below 50C. The resulting mixture was warmed to 60 C and stirred overnight, and then cooled to It The mixture was washed with dichloromethane and the aqueous layer was acidified with cone. HCl to pH = 2 and extracted with EtOAc. The combined extracts were dried, filtered, and concentrated in vacuo to afford the desired compound (S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid-d12 (XVII-d12) (3.8 g) as a yellow oil.
  • 11
  • L-tert-leucine dibenzoyl-d-tartrate salt [ No CAS ]
  • [ 139163-43-2 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; In water; for 12.0h; Example 2 A mixture of L-tert-leucine.dibenzoyl-d-tartrate salt (27 g) as obtained in example-1, water (150 mL) and concentrated hydrochloric acid (50 mL) was stirred for 12 hours. The liberated dibenzoyl-d-tartaric acid was filtered and dried (20 g). The filtrate was concentrated under reduced pressure to remove all the solvent. The residue obtained was stirred with acetone (15 ml*2), filtered and dried to obtain colorless solid of L-tert-leucine hydrochloride salt.
  • 12
  • [ 33105-81-6 ]
  • [ 139163-43-2 ]
  • 13
  • [ 139163-43-2 ]
  • [ 20859-02-3 ]
YieldReaction ConditionsOperation in experiment
With epichlorohydrin; In toluene; It was suspended in toluene (50 mL) and epichlorohydrin (5.8 g) was added. The reaction mixture was stirred till the pH was neutral. It was filtered, the solid obtained was stirred with acetone (15 ml*2) and again filtered to obtain L-tert-leucine (5.6 g, 75% yield, 98.5% chemical purity, 99.9% chiral purity).
With epichlorohydrin; In toluene; A mixture of L-tert-leucine.dibenzoyl-d-tartrate salt (27 g) as obtained in Example-1, water (150 mL) and concentrated hydrochloric acid (50 mL) was stirred for 12 hours. The liberated dibenzoyl-d-tartaric acid was filtered and dried (20 g). The filtrate was concentrated under reduced pressure to remove all the solvent. The residue obtained was stirred with acetone (15 ml x 2), filtered and dried to obtain colorless solid <strong>[139163-43-2]L-tert-leucine hydrochloride</strong> salt. It was suspended in toluene (50 mL) and epichlorohydrin (5.8 g) was added. The reaction mixture was stirred until the pH was neutral. It was filtered, the solid obtained was stirred with acetone (15 ml x 2) and again filtered to obtain L-tert-leucine (5.6 g, 75 % yield, 98.5 % chemical purity, 99.9% chiral purity).
  • 14
  • L-tert-leucine dibenzoyl-D-tartrate [ No CAS ]
  • [ 139163-43-2 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; In water; for 12.0h; A mixture of L-tert-leucine.dibenzoyl-d-tartrate salt (27 g) as obtained in Example-1, water (150 mL) and concentrated hydrochloric acid (50 mL) was stirred for 12 hours. The liberated dibenzoyl-d-tartaric acid was filtered and dried (20 g). The filtrate was concentrated under reduced pressure to remove all the solvent. The residue obtained was stirred with acetone (15 ml x 2), filtered and dried to obtain colorless solid L-tert-leucine hydrochloride salt. It was suspended in toluene (50 mL) and epichlorohydrin (5.8 g) was added. The reaction mixture was stirred until the pH was neutral. It was filtered, the solid obtained was stirred with acetone (15 ml x 2) and again filtered to obtain L-tert-leucine (5.6 g, 75 % yield, 98.5 % chemical purity, 99.9% chiral purity).
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