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2-Thiophenecarboxaldehyde

2-Thiophenecarboxaldehyde structure

CAS No:
98-03-3
Formula:
C5H4OS
Chemical Name:
2-Thiophenecarboxaldehyde
Synonyms:
2-Thiophenecarboxaldehyde;α-Thiophenecarboxaldehyde;2-Formylthiophene;2-Thiophenealdehyde;α-Formylthiophene;2-Thienylcarboxaldehyde;2-Thienylaldehyde;Thiophene-2-carbaldehyde;2-Thienaldehyde;2-Formylthiofuran;α-Thiophenaldehyde;NSC 2162;2-Thiofurancarboxaldehyde;Thiophene-o-carboxaldehyde;Thiofurfural;2-Thienylcarbaldehyde;Thiophene-2-carboxaldehyde;2-Thiophenaldehyde;Thiophen-2-carbaldehyde
Categories:
Organic Chemistry > Aldehydes

Description

2-Thiophenecarboxaldehyde is an endogenous metabolite.

2-Thiophenecarboxaldehyde is used in the synthesis of β-aryl-β-amino acids, urea derivatives. Arylation reagent. Also used to synthesize unsaturated ketones as antiviral and cytotoxic agents.

Formylthiophene is an aldehyde that is thiphene substituted by a formyl group at position 2. It has a role as a metabolite. It is a member of thiophenes and an aldehyde.

2-Thiophenecarboxaldehyde Basic Attributes

Molecular Weight：

112.15

Exact Mass：

112.15

BRN：

105819

EC Number：

202-629-8

UNII：

IW05BB9XBM

NSC Number：

2162

DSSTox ID：

DTXSID7052656

HScode：

2934999090

Characteristics

PSA：

45.3

XLogP3：

Appearance：

clear yellow liquid (clear)

Density：

1.2800 g/cm³ @ Temp: 244 °C

Melting Point：

150-151 °C

Boiling Point：

197 °C

Flash Point：

172 °F

Refractive Index：

1.610

Water Solubility：

H2O: insoluble

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 2810

wgk germany：

hazard class code：

22-36/37/38-43

safety instructions：

36/37/39-37-24-36-26

RTECS Number：

XM8135000

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P301 + P312 + P330-P305 + P351 + P338-P337 + P313

Hazard Statements：

H302-H315-H319-H335

RIDADR：

UN 2810

Caution Statement：

P280; P301 + P312 + P330; P305 + P351 + P338; P337 + P313

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 147 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-thiophene carboxaldehyde

2-Thiophenecarboxaldehyde Use and Manufacturing

Methods of Manufacturing

It is obtained by condensation of thiophene and dimethylformamide in the presence of phosphorus oxychloride, after hydrolysis, neutralization and purification. Add thiophene and dimethylformamide into the reaction pot, slowly add phosphorus oxychloride below 15°C, gradually increase the temperature to 80-90°C, keep it for 3h, then cool to 30°C, add ice water to hydrolyze. Then it is neutralized by 30% sodium oxide oxide, separated by standing, the water layer is extracted with carbon tetrachloride, the extract is washed and dehydrated, solvent is recovered, and distilled under reduced pressure to obtain 2-thiophene aldehyde.

Uses

Used as an intermediate for the broad-spectrum anthelmintic pyrantel and cephalosporin No. 1 and 2, etc.; used to introduce thiophene groups into organic compounds, for example, to introduce thiophene groups into dimethyltetrahydropyrimidine. The obtained product forms a salt with pamoic acid to obtain a broad-spectrum insect repellent pyrantel. Organic Synthesis. Preparation of thiophene derivatives, introducing thiophene groups into organic compounds

Manufacturing Info：

2-Thiophenecarboxaldehyde: ACTIVE

Computed Properties

Molecular Weight:112.15
XLogP3:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:111.99828592
Monoisotopic Mass:111.99828592
Topological Polar Surface Area:45.3
Heavy Atom Count:7
Complexity:72.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

1487-28-1

1487-28-1

186581-53-3

201230-82-2

26878-13-7

Material

Carbon tetrachloride

Dimethylformamide

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Guide of 2-Thiophenecarboxaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Synthesis Route
Material
Recommended Suppliers
Latest News
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