(S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid

Base Information

• Chemical Name: (S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid
• CAS No.: 1417718-65-0
• Molecular Formula: C₂₂H₂₉NO₃S
• Molecular Weight: 387.543
• Mol file: 1417718-65-0.mol

Synonyms:(S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid

Chemical Property of (S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid

There total 11 articles about (S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid 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: 35.0%

(S)-methyl 5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylate (1417718-78-5) → (S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid (1417718-65-0)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol; at 20 - 45 ℃; for 1.5h; Sealed tube;

Reference yield:

methyl 3-amino-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate (1026785-75-0) → (S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid (1417718-65-0)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; sodium tris(acetoxy)borohydride / dichloromethane / 12 - 20 °C

2: dichloromethane; aq. phosphate buffer / 16 h / 90 °C / Sealed tube

3: water; lithium hydroxide / tetrahydrofuran; methanol / 1.5 h / 20 - 45 °C / Sealed tube

With water; sodium tris(acetoxy)borohydride; acetic acid; lithium hydroxide; In tetrahydrofuran; methanol; aq. phosphate buffer; dichloromethane;

Reference yield:

(S)-4-methyl-3-cyclohexene-1-carboxylic acid (102208-60-6) → (S)-5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylic acid (1417718-65-0)

Guidance literature:

Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane; aq. phosphate buffer / 0 - 20 °C

2: dichloromethane; aq. phosphate buffer / 16 h / 90 °C / Sealed tube

3: water; lithium hydroxide / tetrahydrofuran; methanol / 1.5 h / 20 - 45 °C / Sealed tube

With oxalyl dichloride; water; N,N-dimethyl-formamide; lithium hydroxide; In tetrahydrofuran; methanol; aq. phosphate buffer; dichloromethane;

upstream raw materials:

isoprene

methyl 5-(3,3-dimethylbut-1-ynyl)-3-(isopropylamino)thiophene-2-carboxylate

(S)-4-methyl-3-cyclohexene-1-carbonyl chloride

(S)-methyl 5-(3,3-dimethylbut-1-ynyl)-3-(N-isopropyl-4-methylcyclohex-3-enecarboxamido)thiophene-2-carboxylate