4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic acid

Base Information

• Chemical Name: 4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic acid
• CAS No.: 35924-87-9
• Molecular Formula: C₁₄H₂₃N₃O₄S
• Molecular Weight: 329.42

Synonyms:4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic acid

Chemical Property of 4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic acid

Chemical Property:

• Boiling Point: 728.4±55.0 °C(Predicted)
• Density: 1.244±0.06 g/cm3(Predicted)

Purity/Quality:

98%,99%, ^*data from raw suppliers

Butanoicacid,[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-,[3aS-(3aa,4b,6aa)]- 95% ^*data from reagent suppliers

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Technology Process of 4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic acid

There total 4 articles about 4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic 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: 53.0%

biotin (58-85-5,22879-79-4) + 4-amino-n-butyric acid (56-12-2) → 4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic acid (35924-87-9)

Guidance literature:

biotin; With tributyl-amine; isobutyl chloroformate; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

4-amino-n-butyric acid; In N,N-dimethyl-formamide; at 5 ℃; for 2h;

DOI:10.1021/ja0476718

Reference yield:

biotin N-Hydroxysuccinimide ester (35013-72-0) + 4-amino-n-butyric acid (56-12-2) → 4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic acid (35924-87-9)

Guidance literature:

With sodium hydrogencarbonate; In water; acetone; at 20 ℃; for 12h;

DOI:10.1016/j.bmcl.2019.01.015

Reference yield:

C18H31N3O4S (1004988-91-3) → 4-(5-((3aS,4 S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanoic acid (35924-87-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/ja075684q

upstream raw materials:

biotin

4-amino-n-butyric acid

C₁₈H₃₁N₃O₄S

biotin N-Hydroxysuccinimide ester

Downstream raw materials:

C₂₀H₂₇N₃O₃S₂

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