2-Benzimidamidoacetic acid

Base Information

• Chemical Name: 2-Benzimidamidoacetic acid
• CAS No.: 32683-07-1
• Molecular Formula: C9H10 N2 O2
• Molecular Weight: 178.191
• Hs Code.: 2924299090
• European Community (EC) Number: 806-357-6
• DSSTox Substance ID: DTXSID30376927
• Nikkaji Number: J3.047.985H
• Mol file: 32683-07-1.mol

Synonyms:32683-07-1;2-Benzimidamidoacetic acid;2-{[imino(phenyl)methyl]amino}acetic acid;2-[[amino(phenyl)methylidene]amino]acetic acid;2-([Imino(phenyl)methyl]amino)acetic acid;2-(phenylmethanimidamido)acetic acid;2-{[amino(phenyl)methylidene]amino}acetic acid;2-Benzimidamidoaceticacid;(Imino(phenyl)methyl)glycine;(Benzimidoylamino)acetic Acid;SCHEMBL5728635;DTXSID30376927;ZDTNJTKQGYFSCI-UHFFFAOYSA-N;MFCD01935985;N-(2-Oxo-2-hydroxyethyl)benzamidine;AKOS005069405;(Z)-N-[Amino(phenyl)methylidene]glycine;11M-317S;CS-0357432;FT-0680014;J-508096;2-([imino(phenyl)methyl]amino)acetic acid, AldrichCPR

Chemical Property of 2-Benzimidamidoacetic acid

Chemical Property:

• Vapor Pressure: 6.33E-06mmHg at 25°C
• Melting Point: 210°
• Refractive Index: 1.578
• Boiling Point: 363.6°Cat760mmHg
• PKA: 3.40±0.10(Predicted)
• Flash Point: 173.7°C
• PSA: 73.18000
• Density: 1.22g/cm³
• LogP: 1.17680
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.074227566
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

2-{[Imino(phenyl)methyl]amino}aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NCC(=O)O)N
• Uses: 2-{[Imino(phenyl)methyl]amino}acetic Acid is a useful reagent for preparing reaction of imidoesters with proteins.

Technology Process of 2-Benzimidamidoacetic acid

There total 5 articles about 2-Benzimidamidoacetic acid 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:

benzimidic acid ethyl ester (825-60-5) + glycine (56-40-6,18875-39-3,25718-94-9) → N-carboxymethylbenzamidine (32683-07-1)

Guidance literature:

In pentan-1-ol; Heating;

Reference yield:

benzonitrile (100-47-0) → N-carboxymethylbenzamidine (32683-07-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

2: methanol; H₂O

With hydrogenchloride; In methanol; water;

DOI:10.1021/ja00877a016

Reference yield:

glycine (56-40-6,18875-39-3,25718-94-9) + methyl benzimidate (7471-86-5) → N-carboxymethylbenzamidine (32683-07-1)

Guidance literature:

In methanol; water;

DOI:10.1021/ja00877a016

upstream raw materials:

N²-Benzamidino-acetonitril

benzimidic acid ethyl ester

glycine

methyl benzimidate

Downstream raw materials:

5-chloro-2-phenyl-3H-imidazole-4-carbaldehyde

5-acetylamino-6-oxo-2-phenyl-1(6H)-pyrimidineacetic acid

5-amino-6-oxo-2-phenyl-1(6H)-pyrimidineacetic acid