2-Amino-3-(benzyloxy)-4-methylbenzoic acid

Base Information

• Chemical Name: 2-Amino-3-(benzyloxy)-4-methylbenzoic acid
• CAS No.: 28649-39-0
• Molecular Formula: C₁₅H₁₅NO₃
• Molecular Weight: 257.289
• NSC Number: 86092
• DSSTox Substance ID: DTXSID90292851
• Wikidata: Q82031331
• Mol file: 28649-39-0.mol

Synonyms:28649-39-0;2-amino-3-(benzyloxy)-4-methylbenzoic acid;NSC86092;DTXSID90292851;NSC-86092

Chemical Property of 2-Amino-3-(benzyloxy)-4-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 6.35E-09mmHg at 25°C
• Boiling Point: 451.1°C at 760 mmHg
• Flash Point: 226.6°C
• Density: 1.253g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 257.10519334
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C(=O)O)N)OCC2=CC=CC=C2

Technology Process of 2-Amino-3-(benzyloxy)-4-methylbenzoic acid

There total 1 articles about 2-Amino-3-(benzyloxy)-4-methylbenzoic acid 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: 59.0%

2-nitro-3-benzyloxy-4-methylbenzoic acid N-hydroxysuccinimide ester (6623-31-0) → 2-amino-3-benzyloxy-4-methylbenzoic acid (28649-39-0)

Guidance literature:

With sodium hydroxide; sodium dithionite; for 1.5h; Heating;

Reference yield: 71.0%

2-amino-3-benzyloxy-4-methylbenzoic acid (28649-39-0) + L-prolinal dimethyl acetal hydrochloride (110575-88-7) → N-(2-amino-3-benzyloxy-4-methylbenzoyl)-L-prolinal dimethyl acetal (155666-34-5)

Guidance literature:

With diethyl cyanophosphonate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 20h; Ambient temperature;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-amino-3-benzyloxy-4-methylbenzoic acid (28649-39-0) → 2-Dimethylamino-3-hydroxy-4-methyl-benzoesaeure (28649-40-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1002/cber.19701030819

upstream raw materials:

2-nitro-3-benzyloxy-4-methylbenzoic acid N-hydroxysuccinimide ester

Downstream raw materials:

2-Dimethylamino-3-hydroxy-4-methyl-benzoesaeure

2-Dimethylamino-3-benzyloxy-4-methyl-benzoesaeure

N-(2-amino-3-benzyloxy-4-methylbenzoyl)-L-prolinal dimethyl acetal

N-(2-amino-4-benzyloxy-5-methoxybenzoyl)-L-prolinal dimethyl acetal