Ethyl 2-amino-5-isopropylthiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-5-isopropylthiophene-3-carboxylate
• CAS No.: 65416-85-5
• Molecular Formula: C10H15NO2S
• Molecular Weight: 213.29700
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70373379
• Wikidata: Q82161537
• Mol file: 65416-85-5.mol

Synonyms:ethyl 2-amino-5-isopropylthiophene-3-carboxylate;65416-85-5;2-amino-5-isopropyl-thiophene-3-carboxylic acid ethyl ester;ethyl 2-amino-5-propan-2-ylthiophene-3-carboxylate;ethyl 2-amino-5-(propan-2-yl)thiophene-3-carboxylate;2-Amino-5-isopropylthiophene-3-carboxylic acid ethyl ester;Ethyl2-amino-5-isopropylthiophene-3-carboxylate;SCHEMBL1604863;DTXSID70373379;CRSNXJLZRGBLAD-UHFFFAOYSA-N;BBL037563;MFCD01922197;STK502437;AKOS003885010;DS-5225;CS-0151808;FT-0687877;EN300-49451;C76048;A914272;Ethyl 2-mino-5-(propan-2-yl)thiophene-3-carboxylate;2-amino-5-(1-methylethyl)-3-thiophenecarboxylic acid, ethyl ester;2-Amino-5-isopropyl-thiophene-3-carboxylic acid ethyl ester ,97%;2-Amino-5-isopropyl-thiophene-3-carboxylic acid ethyl ester,97%

Chemical Property of Ethyl 2-amino-5-isopropylthiophene-3-carboxylate

Chemical Property:

• PSA: 80.56000
• LogP: 3.21160
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 213.08234989
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

ethyl2-amino-5-isopropylthiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-40
• Safety Statements: 3/7-29/35-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC(=C1)C(C)C)N

Technology Process of Ethyl 2-amino-5-isopropylthiophene-3-carboxylate

There total 1 articles about Ethyl 2-amino-5-isopropylthiophene-3-carboxylate 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: 89.0%

ethyl 2-cyanoacetate (105-56-6) + isovaleraldehyde (590-86-3) → 2-amino-5-(1-methylethyl)-3-thiophenecarboxylic acid,ethyl ester (65416-85-5)

Guidance literature:

With sulfur; diethylamine; In water; for 0.0833333h; Sonication;

DOI:10.1080/00397910903219435

Reference yield:

2-amino-5-(1-methylethyl)-3-thiophenecarboxylic acid,ethyl ester (65416-85-5) → [3-(2,4-Difluoro-benzyl)-6-isopropyl-2,4-dioxo-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-1-yl]-acetic acid

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) dioxane, RT, 1 h, 2.) dioxane, RT, 12 h

2: CH₃ONa / methanol / 2 h / Heating

3: 1.) NaH / 1.) RT, 5 h, 2.) RT, 17 h

4: 75 percent / conc. HCl / acetic acid / 6 h / Heating

With hydrogenchloride; sodium methylate; sodium hydride; In methanol; acetic acid;

DOI:10.1016/0223-5234(93)90112-R

Reference yield:

2-amino-5-(1-methylethyl)-3-thiophenecarboxylic acid,ethyl ester (65416-85-5) → [3-(2,4-Dichloro-benzyl)-6-isopropyl-2,4-dioxo-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-1-yl]-acetic acid

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) dioxane, RT, 1 h, 2.) dioxane, RT, 12 h

2: CH₃ONa / methanol / 2 h / Heating

3: 1.) NaH / 1.) RT, 5 h, 2.) RT, 17 h

4: 44 percent / conc. HCl / acetic acid / 6 h / Heating

With hydrogenchloride; sodium methylate; sodium hydride; In methanol; acetic acid;

DOI:10.1016/0223-5234(93)90112-R

upstream raw materials:

ethyl 2-cyanoacetate

isovaleraldehyde

Downstream raw materials:

2-[3-(3,4-Dichloro-benzyl)-ureido]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester

2-[3-(2,4-Dichloro-benzyl)-ureido]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester

2-[3-(4-Bromo-2-fluoro-benzyl)-ureido]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester

2-[3-(2,4-Difluoro-benzyl)-ureido]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester