3-Thienylmethylamine

Base Information

• Chemical Name: 3-Thienylmethylamine
• CAS No.: 27757-86-4
• Molecular Formula: C5H7NS
• Molecular Weight: 113.183
• Hs Code.: 29349990
• European Community (EC) Number: 638-931-5
• DSSTox Substance ID: DTXSID50950445
• Nikkaji Number: J2.662.763J
• Wikidata: Q27458556
• ChEMBL ID: CHEMBL252602
• Mol file: 27757-86-4.mol

Synonyms:3-thiophenemethylamine

Chemical Property of 3-Thienylmethylamine

Chemical Property:

• Vapor Pressure: 0.476mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 186.9 °C at 760 mmHg
• PKA: 9.57±0.29(Predicted)
• Flash Point: 66.8 °C
• PSA: 54.26000
• Density: 1.144 g/cm³
• LogP: 1.90710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 113.02992040
• Heavy Atom Count: 7
• Complexity: 56

Purity/Quality:

99% ^*data from raw suppliers

Thiophen-3-ylmethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1CN
• Uses: 3-Thiophenemethylamineis an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 3-Thienylmethylamine

There total 11 articles about 3-Thienylmethylamine 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: 85.0%

3-thiophenecarbonitrile (1641-09-4) → (3-thienylmethyl)amine (27757-86-4)

Guidance literature:

3-thiophenecarbonitrile; With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 - 50 ℃; for 4.33333h; Inert atmosphere;

With water; sodium hydroxide; In tetrahydrofuran; at 30 ℃; Inert atmosphere;

DOI:10.1021/op200259t

Reference yield: 82.0%

3-thiophenecarboxaldehyde oxime (148134-23-0,42466-50-2) → (3-thienylmethyl)amine (27757-86-4)

Guidance literature:

With sodium sulfate; In tetrahydrofuran;

Reference yield: 70.0%

3-(azidomethyl)thiophene (129820-45-7) → (3-thienylmethyl)amine (27757-86-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 2h;

upstream raw materials:

3-thiophenecarboxaldehyde oxime

3-thiophene carboxaldehyde

3-thiophenecarbonitrile

3-thiophenecarbaldoxime hydrochloride

Downstream raw materials:

N6-(thiophen-3-ylmethyl)adenosine

N-(4-fluoro-benzyl)-3-nitro-4-[(thiophen-3-ylmethyl)-amino]-benzenesulfonamide

3-amino-N-(4-fluoro-benzyl)-4-[(thiophen-3-ylmethyl)-amino]-benzenesulfonamide

(R)-1-[3-(6-fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-3-[(thiophen-3-ylmethyl)-amino]-propan-2-ol