2-Cyanobenzamide

Base Information

• Chemical Name: 2-Cyanobenzamide
• CAS No.: 17174-98-0
• Molecular Formula: C8H6 N2 O
• Molecular Weight: 146.148
• Hs Code.: 2926909090
• European Community (EC) Number: 241-224-0
• NSC Number: 28289
• DSSTox Substance ID: DTXSID9066170
• Nikkaji Number: J29.492F
• Wikidata: Q81992749
• Mol file: 17174-98-0.mol

Synonyms:2-Cyanobenzamide;17174-98-0;Benzamide, 2-cyano-;o-Cyanobenzamide;Benzamide, o-cyano-;EINECS 241-224-0;NSC 28289;BRN 2085900;AI3-03760;4-09-00-03268 (Beilstein Handbook Reference);NSC28289;2-Cyanobenzamide, AldrichCPR;SCHEMBL262368;DTXSID9066170;MFCD00014797;NSC-28289;AKOS006228547;LS-26239;CS-0377295;FT-0637510;T70416;A811347

Chemical Property of 2-Cyanobenzamide

Chemical Property:

• Vapor Pressure: 8E-05mmHg at 25°C
• Melting Point: 172-173°C
• Refractive Index: 1.4900 (estimate)
• Boiling Point: 341.5°Cat760mmHg
• PKA: 15.23±0.50(Predicted)
• Flash Point: 160.3°C
• PSA: 66.88000
• Density: 1.24g/cm³
• LogP: 1.35748
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048012819
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Cyanobenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36
• Safety Statements: 22-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Cyanobenzamide

There total 13 articles about 2-Cyanobenzamide 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: 94.0%

→ o-cyanobenzamide (17174-98-0)

Guidance literature:

With tetrabutylammomium bromide; ammonia; caesium carbonate; In water; for 0.333333h; Microwave irradiation;

Reference yield: 90.0%

phthalonitrile (91-15-6) → o-cyanobenzamide (17174-98-0)

Guidance literature:

With water; at 60 ℃; for 8h; chemoselective reaction;

DOI:10.1002/cssc.201200203

Reference yield: 90.0%

methyl 2-cyanobenzoate (6587-24-2) → o-cyanobenzamide (17174-98-0)

Guidance literature:

With ammonia;

upstream raw materials:

phthalamide

acetic anhydride

acetic acid

methyl 2-cyanobenzoate

Downstream raw materials:

3-iminoisoindolinone

phthalonitrile

2-(2-oxo-1,3,4-oxathiazol-5-yl)benzonitrile

phthalamic acid

Refernces

• 1、 Chen, Xuenian,Kang, Jia-Xin,Ma, Yan-Na,Miao, Yu-Qi. "Visible light-mediated synthesis of amides from carboxylic acids and amine-boranes". supporting information. p. 3595 - 3599. Retrieved 2021/06/06.
• 2、 Kazemi Miraki, Maryam,Arefi, Marzban,Salamatmanesh, Arefeh,Yazdani, Elahe,Heydari, Akbar. "Magnetic Nanoparticle-Supported Cu–NHC Complex as an Efficient and Recoverable Catalyst for Nitrile Hydration". . p. 3378 - 3388. Retrieved 2018/09/11.