4-Aminobenzyl alcohol

Base Information

• Chemical Name: 4-Aminobenzyl alcohol
• CAS No.: 623-04-1
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 29221990
• European Community (EC) Number: 210-767-5
• DSSTox Substance ID: DTXSID20211353
• Nikkaji Number: J133.617G
• Wikidata: Q72438154
• ChEMBL ID: CHEMBL4087737
• Mol file: 623-04-1.mol

Synonyms:4-aminobenzyl alcohol;p-aminobenzyl alcohol

Chemical Property of 4-Aminobenzyl alcohol

Chemical Property:

• Appearance/Colour: white to light yellow crystalline powder
• Melting Point: 60-63 °C
• Refractive Index: 1.5380 (estimate)
• Boiling Point: 284.8 °C at 760 mmHg
• PKA: 14.82±0.10(Predicted)
• Flash Point: 126 °C
• PSA: 46.25000
• Density: 1.166 g/cm³
• LogP: 1.34230
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Soluble), Methanol (Slightly)
• Water Solubility.: Soluble in alcohol, ether and benzene. Partially soluble in water.
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Aminobenzyl alcohol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)N
• Uses: 4-Aminobenzyl alcohol is used in the synthesis of 4-{N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutylamino}benzyl ester. It is also used as an intermediate in organic synthesis and pharmaceutical products.

Technology Process of 4-Aminobenzyl alcohol

There total 69 articles about 4-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%

4-nitrobenzaldehdye (555-16-8) → 4-aminobenzenemethanol (623-04-1)

Guidance literature:

With sodium tetrahydroborate; In water; at 20 ℃; for 1h;

DOI:10.1002/chem.201304046

Reference yield: 99.2%

4-aminobenzaldehyde (556-18-3,28107-09-7) → 4-aminobenzenemethanol (623-04-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 5h;

DOI:10.1016/j.tetlet.2006.05.157

Reference yield: 95.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-aminobenzenemethanol (623-04-1)

Guidance literature:

With zinc borohydride pyridine complex; In tetrahydrofuran; for 2h; Heating;

upstream raw materials:

4-nitrobenzyl chloride

4-amino-benzoic acid

ethyl 4-nitrobenzoate

α-<(tert-butyloxycarbonyl)lysyl>amido>benzyloxycarbonyl>-p'-nitroanilide

Downstream raw materials:

4-(4-amino-benzyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

4-(2-methyl-5-nitro-benzyl)-aniline

4,4'-diamino diphenyl methane

N-[4-(hydroxymethyl)phenyl] benzamide

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