3-Phenylbenzylamine

Base Information

• Chemical Name: 3-Phenylbenzylamine
• CAS No.: 177976-49-7
• Molecular Formula: C13H13N
• Molecular Weight: 183.253
• Hs Code.: 2921499090
• European Community (EC) Number: 671-211-9
• DSSTox Substance ID: DTXSID70375136
• Nikkaji Number: J2.283.183F
• Wikidata: Q82163671
• ChEMBL ID: CHEMBL4162063
• Mol file: 177976-49-7.mol

Synonyms:3-Phenylbenzylamine;177976-49-7;(3-phenylphenyl)methanamine;[1,1'-Biphenyl]-3-ylmethanamine;3-(Aminomethyl)biphenyl;[1,1'-Biphenyl]-3-methanamine;CHEMBL4162063;MFCD00270124;3-phenyl benzylamine;3-phenyl-benzylamine;3-(phenyl)benzyl amine;(biphenyl-3-y)methylamine;1-Biphenyl-3-ylmethanamine;C-Biphenyl-3-yl-methylamine;SCHEMBL43554;3-Phenylbenzylamine, AldrichCPR;DTXSID70375136;WKHABRRJMGVELW-UHFFFAOYSA-N;AMY14209;BDBM50331395;{[1,1'-biphenyl]-3-yl}methanamine;AKOS009158180;AS-2147;PS-6121;SY262823;CS-0156417;FT-0676245;EN300-1585897;A812327;J-011349

Chemical Property of 3-Phenylbenzylamine

Chemical Property:

• Vapor Pressure: 0.000322mmHg at 25°C
• Melting Point: 28 °C
• Refractive Index: 1.594
• Boiling Point: 320.2 °C at 760 mmHg
• Flash Point: 154.7 °C
• PSA: 26.02000
• Density: 1.048g/cm³
• LogP: 3.51260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.104799419
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

3-Phenylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T； Xi
• Hazard Codes: T,Xi,N
• Statements: 36/37/38-50-41-37/38
• Safety Statements: 26-36/37/39-61-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC(=C2)CN
• Uses: 3-Phenylbenzylamine is used as a reagent for the preparation of N-bis[3-(2-arylethynyl)benzyl]-N''-isopropylureas. Based on biological studies, N-bis[3-(2-arylethynyl)benzyl]-N''-isopropylureas is considered a potent and selective microsomal prostaglandin E synthase (mPGES-1) inhibitors.

Technology Process of 3-Phenylbenzylamine

There total 11 articles about 3-Phenylbenzylamine 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: 63.0%

3-phenylbenzonitrile (24973-50-0) → 3-phenylbenzylamine (177976-49-7)

Guidance literature:

3-phenylbenzonitrile; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 6h;

With ammonium chloride; In tetrahydrofuran; methanol; water; at 0 ℃;

Reference yield: 51.0%

sodium [(1,3-dioxoisoindolin-2-yl)methyl]trifluoroborate + 3-bromobiphenyl (2113-57-7) → 3-phenylbenzylamine (177976-49-7)

Guidance literature:

sodium [(1,3-dioxoisoindolin-2-yl)methyl]trifluoroborate; 3-bromobiphenyl; With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; palladium diacetate; In 1,4-dioxane; at 94 ℃;

With hydrazine; In 1,4-dioxane; methanol; at 20 ℃; for 0.666667h; Product distribution / selectivity; Heating / reflux;

Reference yield:

m-chlorobenzylamine (4152-90-3) + phenylboronic acid (98-80-6) → 3-phenylbenzylamine (177976-49-7)

Guidance literature:

With palladium diacetate; 2-(di-tert-butyl-phosphino)-1-phenyl-1H-pyrrole; In water; at 100 ℃; for 4h; Inert atmosphere;

upstream raw materials:

N-(3-phenyl-benzyl)-phthalimide

biphenyl-3-carbaldehyde

3-bromobiphenyl

3-methylbiphenyl

Downstream raw materials:

4-<2-(biphenyl-3-ylmethylamino)ethoxy>-7-fluoro-3-thiomethyl-1,3-dihydroindol-2-one

C₃₁H₂₅N₃O

C₂₅H₂₃N₃O₂