L-Valine benzyl ester hydrochloride

Base Information

• Chemical Name: L-Valine benzyl ester hydrochloride
• CAS No.: 2462-34-2
• Molecular Formula: C12H18ClNO2
• Molecular Weight: 243.733
• Hs Code.: 29224999
• European Community (EC) Number: 690-497-6
• DSSTox Substance ID: DTXSID80469272
• Mol file: 2462-34-2.mol

Synonyms:2462-34-2;L-Valine benzyl ester hydrochloride;H-Val-OBzl.HCl;Val-OBzl HCl;(S)-benzyl 2-amino-3-methylbutanoate hydrochloride;benzyl (2S)-2-amino-3-methylbutanoate hydrochloride;L-Valine benzyl ester, HCl;valine benzyl ester hydrochloride;L-Valine, phenylmethyl ester, hydrochloride (1:1);benzyl (2S)-2-amino-3-methylbutanoate;hydrochloride;H-Val-OBzl . HCl;val-obzl.hcl;L-Val-OBzl.HCl;Val-OBzl. HCl;SCHEMBL542587;benzyl l-valinate hydrochloride;DTXSID80469272;ZIUNABFUHGBCMF-MERQFXBCSA-N;L-valine benzyl ester hydrochoride;(L)-valine benzyl ester hydrochloride;AKOS015847160;AKOS015899556;CS-W019024;HY-W018238;DS-15098;L-VALINE, PHENYLMETHYL ESTER, HCL;V0078;EN300-124650;(S)-Benzyl 2-amino-3-methylbutyrate hydrochloride;A854577;J-300305;Q-101857;(S)-2-amino-3-methylbutyric acid benzyl ester hydrochloride;(S)-2-Amino-3-methyl-butyric acid benzyl ester;(S)-2-Amino-3-methylbutanoic acid benzyl ester hydrochloride

Chemical Property of L-Valine benzyl ester hydrochloride

Chemical Property:

• Appearance/Colour: crystalline
• Vapor Pressure: 0.0028mmHg at 25°C
• Melting Point: 138 °C
• Refractive Index: -10 ° (C=2, H2O)
• Boiling Point: 285.5 °C at 760 mmHg
• Flash Point: 143.7 °C
• PSA: 52.32000
• LogP: 3.21540
• Storage Temp.: −20°C
• Solubility.: Chloroform, Methanol, Water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 243.1026065
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

L-Valine Benzyl Ester Hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(C(=O)OCC1=CC=CC=C1)N.Cl
• Isomeric SMILES: CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N.Cl
• Uses: L-Valine benzyl ester hydrochloride is a L-Valine derivative useful as intermediate for the preparation of peptides. L-Valine Benzyl Ester is a L-Valine derivative useful as intermediate for the preparation of peptides.

Technology Process of L-Valine benzyl ester hydrochloride

There total 15 articles about L-Valine benzyl ester hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

((S)-1-benzylcarbamoyl-2-methyl-propyl)-carbamic acid tert-butyl ester (66447-55-0) → L-valine benzyl ester hydrochloride (2462-34-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.5b00403

Reference yield: 98.0%

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + benzyl alcohol (100-51-6,185532-71-2) → L-valine benzyl ester hydrochloride (2462-34-2)

Guidance literature:

L-valine; With hydrogenchloride; iron(III) chloride; In 1,2-dichloro-ethane; at 20 ℃; for 0.5h;

benzyl alcohol; In dichloromethane; for 3h; Concentration; Reflux;

Reference yield: 92.0%

→ L-valine benzyl ester hydrochloride (2462-34-2)

Guidance literature:

upstream raw materials:

((S)-1-benzylcarbamoyl-2-methyl-propyl)-carbamic acid tert-butyl ester

t-Boc-L-valine

L-valine

benzyl alcohol

Downstream raw materials:

(S)-3-methyl-2-(2-trifluoromethyl-acryloylamino)-butyric acid benzyl ester

benzyl (2S)-2-(3,4-dichloro-2,5-dihydro-2-oxo-1H-pyrrol-1-yl)-3-methylbutanoate

L-valine benzyl ester

(S)-benzyl 2-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-3-methylbutanoate

Refernces

• 1、 -. "Amino acid benzyl ester hydrochloride salt preparation method". Paragraph 0047-0049. . Retrieved 2018/03/13.
• 2、 Ulatowski, Filip,Jurczak, Janusz. "Chiral recognition of carboxylates by a static library of thiourea receptors with amino acid arms". . p. 4235 - 4243. Retrieved 2015/05/13.