N-(thiophen-3-ylmethylidene)hydroxylamine

Base Information

• Chemical Name: N-(thiophen-3-ylmethylidene)hydroxylamine
• CAS No.: 42466-50-2
• Molecular Formula: C₅H₅NOS
• Molecular Weight: 127.167
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70381893
• Mol file: 42466-50-2.mol

Synonyms:N-(thiophen-3-ylmethylidene)hydroxylamine;42466-50-2;Thiophene-3-aldoxime;SCHEMBL642752;3-thiophene carboxaldehyde oxime;DTXSID70381893;CPCZUXSHORSJIZ-UHFFFAOYSA-N;AKOS017263176;FT-0683763

Chemical Property of N-(thiophen-3-ylmethylidene)hydroxylamine

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Melting Point: 121-122°C
• Refractive Index: 1.607
• Boiling Point: 212.8°Cat760mmHg
• PKA: 10.71±0.10(Predicted)
• Flash Point: 82.5°C
• PSA: 60.83000
• Density: 1.26g/cm³
• LogP: 1.55620
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 94.4

Purity/Quality:

98%min ^*data from raw suppliers

Thiophene-3-carbaldehyde oxime ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1C=NO

Technology Process of N-(thiophen-3-ylmethylidene)hydroxylamine

There total 8 articles about N-(thiophen-3-ylmethylidene)hydroxylamine 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%

3-thiophene carboxaldehyde (498-62-4) → 3-thiophenecarbaldoxime hydrochloride (42466-50-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; at 20 ℃; for 18h;

DOI:10.1021/jo902461a

Reference yield: 99.0%

3-thiophene carboxaldehyde (498-62-4) → 3-thiophenecarboxaldehyde oxime (148134-23-0,42466-50-2)

Guidance literature:

With hydroxylamine hydrochloride; In pyridine; water; ethyl acetate;

Reference yield:

3-thiophene carboxaldehyde (498-62-4) → 3-thiophenecarboxaldehyde oxime (148134-23-0,42466-50-2) + thiophene-3-carbaldehyde oxime (139484-44-9,42466-50-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; at 20 ℃; for 2h;

DOI:10.1002/cmdc.201300144

upstream raw materials:

3-thiophene carboxaldehyde

3-formylthiophene diethyl acetal

Downstream raw materials:

(3-thienylmethyl)amine

4-methyl-N-(thiophen-3-ylmethyl)aniline

3-carbamoylthiophene