2-Aminobenzyl alcohol

Base Information

• Chemical Name: 2-Aminobenzyl alcohol
• CAS No.: 5344-90-1
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2922.19
• European Community (EC) Number: 226-293-7
• NSC Number: 1173
• UNII: JK3AH3NG9C
• DSSTox Substance ID: DTXSID6063800
• Nikkaji Number: J55.475H
• Wikidata: Q27094019
• Metabolomics Workbench ID: 147597
• ChEMBL ID: CHEMBL1235999
• Mol file: 5344-90-1.mol

Synonyms:(2-aminophenyl)methanol;2-aminobenzyl alcohol

Chemical Property of 2-Aminobenzyl alcohol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00253mmHg at 25°C
• Melting Point: 81-83 °C(lit.)
• Refractive Index: 1.4905
• Boiling Point: 275 °C at 760 mmHg
• PKA: 14.21±0.10(Predicted)
• Flash Point: 126.3 °C
• PSA: 46.25000
• Density: 1.166 g/cm³
• LogP: 1.34230
• Storage Temp.: 2-8°C
• Water Solubility.: Very soluble in water.
• XLogP3: 1.1
• 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% ^*data from raw suppliers

2-Aminobenzyl alcohol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC=C(C(=C1)CO)N
• Uses: 2-Aminobenzyl alcohol was used in the synthesis of ethyl 2-hydroxymethylcarbanilate.

Technology Process of 2-Aminobenzyl alcohol

There total 58 articles about 2-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%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-Aminobenzyl alcohol (5344-90-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/cs4000014

Reference yield: 100.0%

2-Nitrobenzyl alcohol (612-25-9) → 2-Aminobenzyl alcohol (5344-90-1)

Guidance literature:

With hydrogen; palladium; In methanol; at 25 ℃; for 4.5h; under 2327.2 Torr;

DOI:10.1039/c39850001100

Reference yield: 100.0%

2-nitro-benzaldehyde (552-89-6) → 2-Aminobenzyl alcohol (5344-90-1)

Guidance literature:

With sodium tetrahydroborate; In water; at 50 ℃; Green chemistry;

DOI:10.1039/c5ra26020e

upstream raw materials:

1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

2-Nitrobenzyl alcohol

sodium ethanolate

anthranilic acid

Downstream raw materials:

1,4-dihydro-benzo[d][1,3]thiazine-2-thione

1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

2,2'-azoxy-di-benzoic acid

(2-hydroxymethyl-phenyl)-urea

Refernces

Synthesis of 1,4-benzodiazepine-1-carbothioamides, bicyclic analogues of the TIBO-type anti-HIV agents

10.1002/jhet.5570320225

The research aimed to synthesize a series of N'-substituted 1,4-benzodiazepine-1-carbothioamides (2a-j) and investigate their anti-HIV activity. The researchers used a precursor, 1,4-benzodiazepine 11, and reacted it with various N-substituted isothiocyanates or sodium thiocyanate-trifluoroacetic acid to create the target compounds. Key chemicals involved in the synthesis included 2-aminobenzyl alcohol, di-tert-butyl dicarbonate, carbon tetrabromide, triphenylphosphine, L-alanine, and different isothiocyanates. Despite the structural resemblance of these molecules to the potent TIBO-type anti-HIV compound R82150, none of the synthesized compounds displayed anti-HIV activity in vitro, suggesting that the potent anti-HIV activity of TIBO derivatives requires an intact tricyclic structure.