4-(4-Methoxyphenyl)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid
• CAS No.: 82437-74-9
• Molecular Formula: C12H10 O3 S
• Molecular Weight: 234.27
• Hs Code.: 2934999090
• European Community (EC) Number: 804-616-8
• DSSTox Substance ID: DTXSID40371589
• Nikkaji Number: J582.333A
• Wikidata: Q82158962
• Mol file: 82437-74-9.mol

Synonyms:4-(4-methoxyphenyl)thiophene-2-carboxylic acid;82437-74-9;Peakdale1_000535;2-Thiophenecarboxylicacid, 4-(4-methoxyphenyl)-;SCHEMBL1308594;HMS519I07;DTXSID40371589;NWNYSAILYSWCEI-UHFFFAOYSA-N;MFCD00203285;AKOS015851952;FS-1757;CS-0206138;FT-0641867;4-(p-Methoxyphenyl)thiophene-2-carboxylic acid;SR-01000384850;SR-01000384850-1;4-(4-methoxyphenyl)thiophene-2-carboxylic acid, AldrichCPR;478027-92-8

Chemical Property of 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.61E-07mmHg at 25°C
• Melting Point: 193-169
• Boiling Point: 398.4°C at 760 mmHg
• PKA: 3.70±0.10(Predicted)
• Flash Point: 194.8°C
• PSA: 74.77000
• Density: 1.296g/cm³
• LogP: 3.12190
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.03506535
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methoxyphenyl)thiophene-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CSC(=C2)C(=O)O

Technology Process of 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid

There total 7 articles about 4-(4-Methoxyphenyl)thiophene-2-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: 96.0%

4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid methyl ester (82437-73-8) → 4-(4-methoxyphenyl)thiophene-2-carboxylic acid (82437-74-9)

Guidance literature:

With sodium hydroxide; In methanol; Heating;

DOI:10.1080/00397919408010175

Reference yield: 84.0%

→ 4-(4-methoxyphenyl)thiophene-2-carboxylic acid (82437-74-9)

Guidance literature:

Reference yield:

4-methoxyphenylmalondialdehyde (53868-40-9) → 4-(4-methoxyphenyl)thiophene-2-carboxylic acid (82437-74-9)

Guidance literature:

Multi-step reaction with 3 steps

1: conc. HCl / 0.25 h / 120 - 130 °C

2: NaOMe / methanol / 0.5 h / Ambient temperature

3: 96 percent / aq. NaOH / methanol / Heating

With hydrogenchloride; sodium hydroxide; sodium methylate; In methanol;

DOI:10.1080/00397919408010175

upstream raw materials:

4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid methyl ester

4-methoxyphenylmalondialdehyde

[1-Methoxycarbonylmethylsulfanyl-2-(4-methoxy-phenyl)-3-oxo-propylsulfanyl]-acetic acid methyl ester

α-Hydroxymethyl-4-methoxy-phenylacetonitril

Downstream raw materials:

3-(4-methoxy-phenyl)-thiophene

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