N-Benzyloxycarbonyl D-Valine Methyl Ester

Base Information

• Chemical Name: N-Benzyloxycarbonyl D-Valine Methyl Ester
• CAS No.: 154674-67-6
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.30500
• DSSTox Substance ID: DTXSID00478588
• Nikkaji Number: J941.194A
• Wikidata: Q82312071
• Mol file: 154674-67-6.mol

Synonyms:N-Benzyloxycarbonyl D-Valine Methyl Ester;154674-67-6;methyl (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate;DTXSID00478588;MolPort-028-961-234;FT-0662932;J-009129

Chemical Property of N-Benzyloxycarbonyl D-Valine Methyl Ester

Chemical Property:

• PSA: 68.12000
• LogP: 2.31480
• Solubility.: Dichloromethane, Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

97% ^*data from raw suppliers

N-BenzyloxycarbonylD-ValineMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)OC)NC(=O)OCC1=CC=CC=C1
• Isomeric SMILES: CC(C)[C@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1
• Uses: Protected Amino Acid. N-Benzyloxycarbonyl D-Valine Methyl Ester is a protected amino acid.

Technology Process of N-Benzyloxycarbonyl D-Valine Methyl Ester

There total 7 articles about N-Benzyloxycarbonyl D-Valine Methyl Ester 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: 80.0%

D-Valine methyl ester (4070-48-8,18869-42-6,21685-47-2) + benzyl chloroformate (501-53-1,94274-21-2) → methyl (R)-(N-benzyloxycarbonyl)valinate (154674-67-6)

Guidance literature:

With tetrabutylammomium bromide; at 20 ℃; for 0.416667h;

DOI:10.1139/V08-169

Reference yield: 61.0%

N-(Benzyloxycarbonyloxy)succinimide (13139-17-8) + (2S,5R)-2-(3-tert-Butoxy-benzyl)-5-isopropyl-3,6-dimethoxy-2,5-dihydro-pyrazine → methyl (R)-(N-benzyloxycarbonyl)valinate (154674-67-6) + 2-benzyloxycarbonylamino-3-(3-tert-butoxy-phenyl)-propionic acid methyl ester (327184-62-3)

Guidance literature:

(2S,5R)-2-(3-tert-Butoxy-benzyl)-5-isopropyl-3,6-dimethoxy-2,5-dihydro-pyrazine; With hydrogenchloride;

N-(Benzyloxycarbonyloxy)succinimide; With sodium carbonate; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0960-894X(00)00560-6

Reference yield:

methanol (67-56-1) + 4-isopropyl-2,5-dioxo-oxazolidine-3-carboxylic acid benzyl ester (394210-42-5,178614-85-2,158257-41-1) → methyl (2S)-3-methyl-[(benzyloxy)carbonylamino]butanoate (24210-19-3) + methyl (R)-(N-benzyloxycarbonyl)valinate (154674-67-6)

Guidance literature:

With 4 A molecular sieve; In diethyl ether; at 0 ℃; for 22h; Title compound not separated from byproducts.;

DOI:10.1021/ja011936q

upstream raw materials:

diazomethane

N-[(benzyloxy)carbonyl]-D-valine

methanol

(R)-3-methyl-1-oxobutane-2-benzylcarbamate

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