3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide

Base Information

• Chemical Name: 3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide
• CAS No.: 175137-04-9
• Molecular Formula: C9H14N2OS
• Molecular Weight: 198.29
• Hs Code.: 2934999090
• European Community (EC) Number: 639-295-1
• DSSTox Substance ID: DTXSID30370662
• Wikidata: Q82157790
• Mol file: 175137-04-9.mol

Synonyms:175137-04-9;3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide;3-amino-5-tert-butylthiophene-2-carboxamide;3-Amino-5-(tert-butyl)thiophene-2-carboxamid;2-Thiophenecarboxamide, 3-amino-5-(1,1-dimethylethyl)-;2-Thiophenecarboxamide,3-amino-5-(1,1-dimethylethyl)-;Maybridge1_003717;5-tert-butyl-3-aminothiophene-2-carboxamide;Oprea1_331582;SCHEMBL164073;HMS552A21;DTXSID30370662;CHEBI:194586;MKHZJBZWKNDDCN-UHFFFAOYSA-N;MFCD00068165;AKOS006228045;AKOS024388866;PS-5401;3-amino-5-(t-butyl)thiophene-2-carboxamide;CS-0318426;FT-0614996;3-Amino-5-(tertbutyl)thiophene-2-carboxamide;3-amino-5-tert-butyl-thiophene-2-carboxamide;A811768;3-Amino-5-(tert-butyl)thiophene-2-carboxamide, AldrichCPR

Chemical Property of 3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Melting Point: 146 °C
• Refractive Index: 1.589
• Boiling Point: 329.8 °C at 760 mmHg
• PKA: 15.86±0.50(Predicted)
• Flash Point: 153.2 °C
• PSA: 97.35000
• Density: 1.19 g/cm³
• LogP: 3.00820
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.08268425
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-5-(tert-butyl)thiophene-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-22
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(S1)C(=O)N)N
• Uses: 3-Amino-5-(tert-butyl)thiophene-2-carboxamide is a useful research intermediate for organic synthesis.

Technology Process of 3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide

There total 2 articles about 3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide 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: 77.0%

5-tert-butyl-3-aminothiophene-2-carbonitrile (677277-39-3) → 3-amino-5-(tert-butyl)thiophene-2-carboxamide (175137-04-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 1h; Reflux;

Reference yield:

3-chloro-4,4-dimethylpent-2-enenitrile (216574-58-2) → 3-amino-5-(tert-butyl)thiophene-2-carboxamide (175137-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium sulfide / N,N-dimethyl-formamide / 2 h / 70 - 80 °C

1.2: 2 h / 70 - 80 °C

1.3: 2 h / 70 - 80 °C

2.1: sodium hydroxide / ethanol; water / 1 h / Reflux

With sodium sulfide; sodium hydroxide; In ethanol; water; N,N-dimethyl-formamide;

Reference yield: 76.0%

3-amino-5-(tert-butyl)thiophene-2-carboxamide (175137-04-9) + bis[(5-chloro-2,4-dihydroxyphenyl)methanethione]sulfoxide (1298083-50-7) → 6-tert-butyl-2-(5-chloro-2,4-dihydroxyphenyl)-4H-thieno[3,2-d][1,3]thiazin-4-one

Guidance literature:

In methanol;

DOI:10.1016/j.bmc.2016.02.009

upstream raw materials:

3-chloro-4,4-dimethylpent-2-enenitrile

5-tert-butyl-3-aminothiophene-2-carbonitrile

Refernces