3-amino-N-benzylbenzamide

Base Information

• Chemical Name: 3-amino-N-benzylbenzamide
• CAS No.: 54977-91-2
• Molecular Formula: C14H14N2O
• Molecular Weight: 226.278
• Hs Code.: 2924299090
• European Community (EC) Number: 824-949-2
• DSSTox Substance ID: DTXSID40400762
• Wikidata: Q82203780
• Mol file: 54977-91-2.mol

Synonyms:3-amino-N-benzylbenzamide;54977-91-2;3-amino-n-benzyl-benzamide;Oprea1_073841;3-amino-n~1~-benzylbenzamide;N-phenylmethyl-3-aminobenzamide;SCHEMBL8395188;DTXSID40400762;JJLMPFXNGNFLNI-UHFFFAOYSA-N;BBL011988;MFCD00523631;STK347149;AKOS000160452;SB79942;VS-03146;CS-0224189;FT-0678239;EN300-118151;F20160;MLS-0315651.0001;Z111691306

Chemical Property of 3-amino-N-benzylbenzamide

Chemical Property:

• Vapor Pressure: 1.23E-08mmHg at 25°C
• Melting Point: 96-97 °C
• Boiling Point: 459.7oC at 760 mmHg
• PKA: 15.05±0.46(Predicted)
• Flash Point: 231.8oC
• PSA: 55.12000
• Density: 1.173g/cm3
• LogP: 3.17090
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.110613074
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-N-benzylbenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N

Technology Process of 3-amino-N-benzylbenzamide

There total 11 articles about 3-amino-N-benzylbenzamide 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: 96.0%

meta-aminobenzoic acid (99-05-8,159139-79-4) + benzylamine (100-46-9) → 3-amino-N-benzylbenzamide (54977-91-2)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 15h;

DOI:10.1021/acs.jmedchem.7b00443

Reference yield: 93.0%

N-benzyl-3-nitrobenzamide (7595-68-8) → 3-amino-N-benzylbenzamide (54977-91-2)

Guidance literature:

With water; iron; calcium chloride; In ethanol; at 90 ℃; for 2h;

DOI:10.1021/acs.jmedchem.7b00443

Reference yield: 92.0%

C6H6ClMgN + benzyl isothiocyanate (3173-56-6) → 3-amino-N-benzylbenzamide (54977-91-2)

Guidance literature:

With copper(ll) bromide; In tetrahydrofuran; at 20 ℃; for 0.00294444h; Inert atmosphere; Flow reactor;

DOI:10.1002/anie.201807393

upstream raw materials:

meta-aminobenzoic acid

benzylamine

3-nitrobenzoic acid

C₁₉H₂₂N₂O₃

Downstream raw materials:

diethyl ({[3-(benzylaminocarbonyl)phenyl]amino}methylene)malonate

C₂₁H₁₆N₂O₂S

C₂₁H₁₈N₂O₂S

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