Methyl 3-amino-5-(hydroxymethyl)benzoate

Base Information

Chemical Name:Methyl 3-amino-5-(hydroxymethyl)benzoate
CAS No.:199536-04-4
Molecular Formula:C₉H₁₁NO₃*ClH
Molecular Weight:217.652
Hs Code.:
DSSTox Substance ID:DTXSID60441359
Mol file:199536-04-4.mol

Synonyms:Methyl 3-amino-5-(hydroxymethyl)benzoate;220286-47-5;199536-04-4;SCHEMBL3600242;DTXSID60441359;MOYDZZVEYJZZGZ-UHFFFAOYSA-N;MFCD11036276;AKOS006308835;Methyl 3-Amino-5-hydroxymethylbenzoate;Methyl3-amino-5-(hydroxymethyl)benzoate;CS-0370571;3-amino-5-hydroxymethyl benzoic acid methyl ester;EN300-25395455;3-Amino-5-[hydroxymethyl]benzoic acid, methyl ester;A1-00918

Suppliers and Price of Methyl 3-amino-5-(hydroxymethyl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
METHYL-3-AMINO-5-(HYDROXYMETHYL)BENZOATE 95.00%
5MG
$ 502.79

Total 1 raw suppliers

Chemical Property of Methyl 3-amino-5-(hydroxymethyl)benzoate

Chemical Property:

PSA：72.55000
LogP:1.12890
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:181.07389321
Heavy Atom Count:13
Complexity:184

Purity/Quality:

99% ^*data from raw suppliers

METHYL-3-AMINO-5-(HYDROXYMETHYL)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=CC(=C1)CO)N

Technology Process of Methyl 3-amino-5-(hydroxymethyl)benzoate

There total 3 articles about Methyl 3-amino-5-(hydroxymethyl)benzoate 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: 78.0%

: 53732-08-4
3-hydroxymethyl-5-nitrobenzoic acid methyl ester

: 199536-04-4
3-Amino-5-hydroxymethyl-benzoic acid methyl ester; hydrochloride

Guidance literature:: With hydrogen; platinum(IV) oxide; In methanol; for 0.5h; under 2585.7 Torr;
DOI:10.1021/jm970479e

Reference yield:

: 1955-46-0
5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester

: 199536-04-4
3-Amino-5-hydroxymethyl-benzoic acid methyl ester; hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride, DMF, pyridine / tetrahydrofuran; acetonitrile / 1 h / -30 °C

2: CuI, LiAlH3)3>3 / tetrahydrofuran; acetonitrile / 0.17 h / -78 °C

3: 78 percent / H₂ / PtO₂ / methanol / 0.5 h / 2585.7 Torr

With pyridine; copper(l) iodide; oxalyl dichloride; hydrogen; lithium tri-t-butoxyaluminum hydride; N,N-dimethyl-formamide; platinum(IV) oxide; In tetrahydrofuran; methanol; acetonitrile;
DOI:10.1021/jm970479e

Reference yield:

: 1955-04-0
methyl 5-nitro-3-chloroformylbenzoate

: 199536-04-4
3-Amino-5-hydroxymethyl-benzoic acid methyl ester; hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: CuI, LiAlH3)3>3 / tetrahydrofuran; acetonitrile / 0.17 h / -78 °C

2: 78 percent / H₂ / PtO₂ / methanol / 0.5 h / 2585.7 Torr

With copper(l) iodide; hydrogen; lithium tri-t-butoxyaluminum hydride; platinum(IV) oxide; In tetrahydrofuran; methanol; acetonitrile;
DOI:10.1021/jm970479e