4-Methoxythiophene-3-carboxylic acid

Base Information

• Chemical Name: 4-Methoxythiophene-3-carboxylic acid
• CAS No.: 71050-40-3
• Molecular Formula: C6H6O3S
• Molecular Weight: 158.178
• Hs Code.: 2934999090
• European Community (EC) Number: 874-546-0
• DSSTox Substance ID: DTXSID20380891
• Wikidata: Q72486206
• ChEMBL ID: CHEMBL1329646
• Mol file: 71050-40-3.mol

Synonyms:4-methoxythiophene-3-carboxylic acid;71050-40-3;3-Thiophenecarboxylic acid, 4-methoxy-;4-Methoxythiophene-3-CarboxylicAcid;Maybridge1_004713;3-Carboxy-4-methoxythiophene;4-methoxy-3-thienoic acid;MLS000850547;4-METHOXYTHIOPHENE-3-;SCHEMBL1432436;CHEMBL1329646;HMS554O05;DTXSID20380891;CHEBI:194869;KEYPLCJVNVJJQK-UHFFFAOYSA-N;HMS2807F05;CCG-47230;MFCD00067997;4-Methoxy-thiophene-3-carboxylic acid;AKOS006228819;AS-5493;DS-0987;4-DIMETHYLAMINO-4-METHYLCHALCONE;4-(Methyloxy)-3-thiophenecarboxylic acid;AM804262;BP-11253;SMR000456565;A9333;CS-0043918;FT-0618969;EN300-114764;4-methoxythiophene-3-carboxylic acid, AldrichCPR;J-515681;SR-01000636863-1;Z1201618692

Chemical Property of 4-Methoxythiophene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 105 °C
• Refractive Index: 1.577
• Boiling Point: 295.693 °C at 760 mmHg
• Flash Point: 132.631 °C
• PSA: 74.77000
• Density: 1.37 g/cm³
• LogP: 1.45490
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 158.00376522
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

4-Methoxythiophene-3-CarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CSC=C1C(=O)O

Technology Process of 4-Methoxythiophene-3-carboxylic acid

There total 3 articles about 4-Methoxythiophene-3-carboxylic 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: 81.0%

methyl 4-methoxy-3-thiophenecarboxylate (65369-22-4) → 4-methoxy-3-thiophenecarboxylic acid (71050-40-3)

Guidance literature:

With sodium hydroxide; In methanol; for 0.25h; Heating;

DOI:10.1021/jm0205189

Reference yield:

4-bromo-3-thiophenecarboxylic acid methyl ester (78071-37-1) → 4-methoxy-3-thiophenecarboxylic acid (71050-40-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: CuO; NaI / methanol / 68 h / Heating

1.2: 83 percent / diethyl ether / 0 °C

2.1: 81 percent / aq. NaOH / methanol / 0.25 h / Heating

With sodium hydroxide; sodium iodide; copper(II) oxide; In methanol;

DOI:10.1021/jm0205189

Reference yield:

→ 4-methoxy-3-thiophenecarboxylic acid (71050-40-3)

Guidance literature:

Ester 8a, KOH;

DOI:10.1021/jo01333a003

upstream raw materials:

methyl 4-methoxy-3-thiophenecarboxylate

4-bromo-3-thiophenecarboxylic acid methyl ester

Downstream raw materials:

1-(2',6'-dichlorobenzoyl)-5-(4-methoxy-3-thiophenylcarbonyl)amino-2-methylindole

methyl 4-methoxy-3-thiophenecarboxylate

2-chloro-3-methoxy-thiophene-4-carboxylic acid

Refernces

• 1、 -. "Organic compounds and their use as pharmaceuticals". . . Retrieved 2008/06/13.