3-Aminobenzyl alcohol

Base Information

• Chemical Name: 3-Aminobenzyl alcohol
• CAS No.: 1877-77-6
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 29221980
• European Community (EC) Number: 217-514-8
• NSC Number: 62359
• UNII: KN96ABQ0SP
• DSSTox Substance ID: DTXSID20172076
• Nikkaji Number: J7.797F
• Wikidata: Q27282343
• ChEMBL ID: CHEMBL4066403
• Mol file: 1877-77-6.mol

Synonyms:3-Aminobenzyl alcohol;1877-77-6;(3-Aminophenyl)methanol;3-Aminobenzylalcohol;M-AMINOBENZYL ALCOHOL;3-(Hydroxymethyl)aniline;Benzenemethanol, 3-amino-;Benzyl alcohol, m-amino-;3-Aminobenzenemethanol;EINECS 217-514-8;UNII-KN96ABQ0SP;MFCD00007817;NSC 62359;KN96ABQ0SP;BRN 2205844;Benzenemethanol, 3-amino- (9CI);NSC-62359;4-13-00-01770 (Beilstein Handbook Reference);m-Aminophenylcarbinol;(3-Amino-phenyl)-methanol;3-Amniobenzylalcohol;3-aminophenylmethanol;3-hydroxymethylaniline;3-amino benzyl alcohol;meta-aminobenzyl alcohol;(3-Aminophenyl)methanol #;NCIOpen2_000003;SCHEMBL28388;3-Aminobenzyl alcohol, 97%;(3-aminophenyl) methan-1-ol;AMINOBENZYL ALCOHOL, 3-;CHEMBL4066403;DTXSID20172076;NSC62359;BBL003537;STK520609;AKOS000121288;(3-(HYDROXYMETHYL)PHENYL)AMINE;CS-W019472;DS-1223;NCGC00329544-01;BP-20133;LS-42619;SY015453;AM20060200;FT-0615033;EN300-21250;AB00514345-03;A813175;W-107767;Q27282343;F0001-2346;Z104494828

Chemical Property of 3-Aminobenzyl alcohol

Chemical Property:

• Appearance/Colour: beige or grey-beige to brown fine crystalline
• Vapor Pressure: 0.000936mmHg at 25°C
• Melting Point: 92-95 °C(lit.)
• Refractive Index: 1.617
• Boiling Point: 290.7 °C at 760 mmHg
• PKA: 14.46±0.10(Predicted)
• Flash Point: 129.6 °C
• PSA: 46.25000
• Density: 1.166 g/cm³
• LogP: 1.34230
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water.
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99%min ^*data from raw suppliers

3-Aminobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22-22
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)CO
• Uses: 3-Aminobenzyl alcohol, is used as a reagent in the synthesis of quinone analogs as dynamin GTPase inhibitors. Also used as a reagent in the synthesis of pyrrolo[2,1-f][1,2,4]triazines as novel hedgehog signaling pathway inhibitors.

Technology Process of 3-Aminobenzyl alcohol

There total 36 articles about 3-Aminobenzyl alcohol 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: 100.0%

3-Nitrobenzyl alcohol (619-25-0) → 3-aminobenzenemethanol (1877-77-6)

Guidance literature:

With C₃₇H₂₃Cl₂N₇Pd₂⁽²⁺⁾*2F₆P^(1-); hydrogen; sodium cyanoborohydride; In methanol; at 50 ℃; for 6h; under 760.051 Torr;

DOI:10.1002/aoc.3976

Reference yield: 98.0%

meta-aminobenzoic acid (99-05-8,159139-79-4) → 3-aminobenzenemethanol (1877-77-6)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1002/chem.201701519

Reference yield: 98.0%

tert-butyl N-[3-(hydroxymethyl)phenyl]carbamate (118684-31-4) → 3-aminobenzenemethanol (1877-77-6)

Guidance literature:

With water; at 110 ℃; for 1.5h;

DOI:10.1039/b910239f

upstream raw materials:

3-Nitrobenzyl alcohol

3-nitro-benzaldehyde

meta-aminobenzoic acid

3-nitrobenzoic acid

Downstream raw materials:

1,4-bis-(3-hydroxymethyl-anilino)-anthraquinone

1-hydroxy-4-(3-hydroxymethyl-anilino)-anthraquinone

3-(hydroxymethyl)benzonitrile

2,4,6-Trijod-3-amino-benzylalkohol

Refernces

• 1、 Indra, Arindam,Maity, Niladri,Maity, Prasenjit,Bhaduri, Sumit,Lahiri, Goutam Kumar. "Control of chemoselectivity in hydrogenations of substituted nitro- and cyano-aromatics by cluster-derived ruthenium nanocatalysts". . p. 176 - 183. Retrieved 2011.
• 2、 Chand, Dillip Kumar,Rai, Randhir. "Copper nanoparticles (CuNPs) catalyzed chemoselective reduction of nitroarenes in aqueous medium". . . Retrieved 2021/08/20.
• 3、 Begum, Robina,Farooqi, Zahoor H.,Xiao, Jianliang,Ahmed, Ejaz,Sharif, Ahsan,Irfan, Ahmad. "Crosslinked polymer encapsulated palladium nanoparticles for catalytic reduction and Suzuki reactions in aqueous medium". . . Retrieved 2021/07/06.