Cyanomethyl (benzoylamino)acetate

Base Information

• Chemical Name: Cyanomethyl (benzoylamino)acetate
• CAS No.: 4816-94-8
• Molecular Formula: C11H10 N2 O3
• Molecular Weight: 218.212
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20368179
• Wikidata: Q82154542
• ChEMBL ID: CHEMBL3247328
• Mol file: 4816-94-8.mol

Synonyms:cyanomethyl (benzoylamino)acetate;4816-94-8;cyanomethyl 2-benzamidoacetate;CYANOMETHYL 2-(PHENYLFORMAMIDO)ACETATE;CYANOMETHYL(BENZOYLAMINO)ACETATE;CHEMBL3247328;DTXSID20368179;CS-0220557;EN300-06938;(R)-(-)-4-METHYLGLUTARICACID1-MONOMETHYLESTER

Chemical Property of Cyanomethyl (benzoylamino)acetate

Chemical Property:

• Vapor Pressure: 9.14E-10mmHg at 25°C
• Boiling Point: 490.4°Cat760mmHg
• Flash Point: 250.4°C
• PSA: 82.68000
• Density: 1.238g/cm³
• LogP: 1.05798
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 218.06914219
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

98%Min ^*data from raw suppliers

CYANOMETHYL (BENZOYLAMINO)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)OCC#N

Technology Process of Cyanomethyl (benzoylamino)acetate

There total 6 articles about Cyanomethyl (benzoylamino)acetate 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:

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + iodoacetonitrile (624-75-9) → hippuric acid cyanomethyl ester (4816-94-8)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 1h;

DOI:10.1021/ac00107a015

Reference yield:

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + cyanomethyl bromide (590-17-0) → hippuric acid cyanomethyl ester (4816-94-8)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 1h;

DOI:10.1021/ac00107a015

Reference yield:

N-Benzoyl-glycyl-(carbamoylmethylester) (4816-84-6) → hippuric acid cyanomethyl ester (4816-94-8)

Guidance literature:

With trichlorophosphate; In pyridine;

upstream raw materials:

Hippuric Acid

chloroacetonitrile

N-Benzoyl-glycyl-(carbamoylmethylester)

iodoacetonitrile

Downstream raw materials:

N-(N-benzoyl-glycyl)-leucine methyl ester

N-(N-benzoyl-glycyl)-L-isoleucine ethyl ester

N-(N-benzoyl-glycyl)-L-tyrosine methyl ester

N-(N-benzoyl-glycyl)-L-tyrosine