Methyl 4-amino-3-mercaptobenzoate

Base Information

Chemical Name:Methyl 4-amino-3-mercaptobenzoate
CAS No.:7025-27-6
Molecular Formula:C₈H₉NO₂S
Molecular Weight:183.231
Hs Code.:2930909090
DSSTox Substance ID:DTXSID40505029
Wikidata:Q82359859
Mol file:7025-27-6.mol

Synonyms:Methyl 4-amino-3-mercaptobenzoate;7025-27-6;METHYL 4-AMINO-3-SULFANYLBENZOATE;4-amino-3-mercapto-benzoic acid methyl ester;Methyl4-amino-3-mercaptobenzoate;Benzoic acid, 4-amino-3-mercapto-, methyl ester;SCHEMBL24820015;DTXSID40505029;MFCD17168416;AKOS016004825;AC-27170;CS-0366553;EN300-345721

Suppliers and Price of Methyl 4-amino-3-mercaptobenzoate

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

Matrix Scientific
Methyl 4-amino-3-mercaptobenzoate 95%
1g
$ 466.00

American Custom Chemicals Corporation
METHYL-4-AMINO-3-MERCAPTOBENZOATE 95.00%
5MG
$ 500.08

AK Scientific
Methyl4-amino-3-mercaptobenzoate
1g
$ 679.00

Total 9 raw suppliers

Chemical Property of Methyl 4-amino-3-mercaptobenzoate

Chemical Property:

Melting Point:110-112 °C
Boiling Point:359.1±27.0 °C(Predicted)
PKA:6.42±0.48(Predicted)
PSA：91.12000
Density:1.288±0.06 g/cm3(Predicted)
LogP:1.92530
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:183.03539970
Heavy Atom Count:12
Complexity:174

Purity/Quality:

97% ^*data from raw suppliers

Methyl 4-amino-3-mercaptobenzoate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)N)S

Technology Process of Methyl 4-amino-3-mercaptobenzoate

There total 3 articles about Methyl 4-amino-3-mercaptobenzoate 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:

: 73931-63-2
methyl 1,3-benzothiazole-6-carboxylate

: 7025-27-6
2-amino-5-methoxycarbonylthiophenol

Guidance literature:: With hydrazine hydrate; In ethanol; Yield given; Ambient temperature;

Reference yield:

: 66947-92-0
2-aminobenzo[d]thiazole-6-carboxylic acid methyl ester

: 7025-27-6
2-amino-5-methoxycarbonylthiophenol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) 85percent H₃PO₄, NaNO₂, 2.) H₃PO₂ / 1.) H₂O, -8 - -4 deg C, 2.) -4 deg C to room temperature

2: NH₂NH₂*H₂O / aq. ethanol / Ambient temperature

With phosphoric acid; hypophosphorous acid; hydrazine hydrate; sodium nitrite; In ethanol;