Pentanedioic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, dimethyl ester

Base Information

• Chemical Name: Pentanedioic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, dimethyl ester
• CAS No.: 77856-51-0
• Molecular Formula: C15H19NO6
• Molecular Weight: 309.319
• DSSTox Substance ID: DTXSID00455192
• Nikkaji Number: J2.128.187E
• Wikidata: Q82277100

Synonyms:77856-51-0;Pentanedioic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, dimethyl ester;dimethyl 3-(phenylmethoxycarbonylamino)pentanedioate;SCHEMBL10966776;DTXSID00455192;WS-00335;D85800;dimethyl 3-(((benzyloxy)carbonyl)amino)pentanedioate;DIMETHYL 3-(BENZYLOXYCARBONYLAMINO)PENTANEDIOATE;3-[(Benzyloxycarbonyl)amino]pentanedioic acid dimethyl ester

Chemical Property of Pentanedioic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, dimethyl ester

Chemical Property:

• PSA: 94.42000
• LogP: 1.61200
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 309.12123733
• Heavy Atom Count: 22
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(CC(=O)OC)NC(=O)OCC1=CC=CC=C1

Technology Process of Pentanedioic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, dimethyl ester

There total 5 articles about Pentanedioic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, dimethyl 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: 90.0%

3-aminoglutaric acid dimethyl ester (77313-09-8) + benzyl chloroformate (501-53-1,94274-21-2) → dimethyl β-<(benzyloxycarbonyl)amino>glutarate (77856-51-0)

Guidance literature:

With triethylamine;

DOI:10.1021/ja00399a043

Reference yield:

N-(Benzyloxycarbonyloxy)succinimide (13139-17-8) + 3-aminoglutaric acid dimethyl ester hydrochloride → dimethyl β-<(benzyloxycarbonyl)amino>glutarate (77856-51-0)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at 0 - 20 ℃; for 2h;

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) + 3-aminoglutaric acid dimethyl ester hydrochloride → dimethyl β-<(benzyloxycarbonyl)amino>glutarate (77856-51-0)

Guidance literature:

With potassium carbonate; In diethyl ether; at 20 ℃; for 3h;

DOI:10.1002/chem.200305358

upstream raw materials:

3-aminoglutaric acid dimethyl ester

benzyl chloroformate

3-oxopentanedioic acid dimethyl ester

N-(Benzyloxycarbonyloxy)succinimide

Downstream raw materials:

(S)-3-Benzyloxycarbonylamino-5-hydroxy-pentanoic acid methyl ester

benzyl-(3S)-3-benzyloxycarbonylamino-5-hydroxypentanamide

benzyl-(3S)-3-benzyloxycarbonylamino-5-(N-methyl-2-nitrobenzenesulfonylamino)pentanamide

C₃₂H₄₅N₅O₇

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