2-[3-(Hydroxymethyl)phenyl]thiophene-3-carboxylic acid

Base Information

• Chemical Name: 2-[3-(Hydroxymethyl)phenyl]thiophene-3-carboxylic acid
• CAS No.: 776312-23-3
• Molecular Formula: C12H10 O2 S
• Molecular Weight: 218.276
• DSSTox Substance ID: DTXSID80698247
• Wikidata: Q82628404
• Mol file: 776312-23-3.mol

Synonyms:776312-23-3;2-Thiophenecarboxaldehyde,5-[4-(hydroxymethyl)phenyl]-;2-(3-HYDROXYMETHYLPHENYL)THIOPHENE-3-CARBOXYLIC ACID;2-[3-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid;DTXSID80698247

Chemical Property of 2-[3-(Hydroxymethyl)phenyl]thiophene-3-carboxylic acid

Chemical Property:

• PSA: 85.77000
• LogP: 2.60560
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.03506535
• Heavy Atom Count: 16
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

5-(4-(Hydroxymethyl)phenyl)thiophene-2-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=C(C=CS2)C(=O)O)CO

Technology Process of 2-[3-(Hydroxymethyl)phenyl]thiophene-3-carboxylic acid

There total 5 articles about 2-[3-(Hydroxymethyl)phenyl]thiophene-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: 100.0%

→ 5-(4-(hydroxymethyl)phenyl)-thiophene-2-carbaldehyde (776312-23-3)

Guidance literature:

Reference yield: 96.0%

5-bromo-2-thiophencarboxaldehyde (4701-17-1) + p-hydroxymethylphenylboronic acid (59016-93-2) → 5-(4-(hydroxymethyl)phenyl)-thiophene-2-carbaldehyde (776312-23-3)

Guidance literature:

With potassium carbonate; bis-triphenylphosphine-palladium(II) chloride; In methanol; water; at 80 ℃; for 1.5h;

Reference yield:

(4-(5-(1,3-dioxolan-2-yl)thiophen-2-yl)phenyl)methanol (1313398-19-4) → 5-(4-(hydroxymethyl)phenyl)-thiophene-2-carbaldehyde (776312-23-3)

Guidance literature:

With hydrogenchloride; In water; acetone; at 20 ℃; for 6h;

DOI:10.1021/jm401604x

upstream raw materials:

5-bromo-2-thiophencarboxaldehyde

p-hydroxymethylphenylboronic acid

(4-(5-(1,3-dioxolan-2-yl)thiophen-2-yl)phenyl)methanol

2-(5-bromothiophen-2-yl)-1,3-dioxolane

Downstream raw materials:

4-(5-((5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)thiophen-2-yl)benzyl acetate

5-(4-chloromethylphenyl)thiophene-2-carbaldehyde

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