ITMN 4077

Base Information

• Chemical Name: ITMN 4077
• CAS No.: 790305-05-4
• Molecular Formula: C26H40N4O8S
• Molecular Weight: 568.692
• Mol file: 790305-05-4.mol

Synonyms:Carbamic acid, N-[(2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-2-hydroxy-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]-, 1,1-dimethylethyl ester;Carbamic acid, [(2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-2-hydroxy-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]-, 1,1-dimethylethyl ester (9CI);

Chemical Property of ITMN 4077

Chemical Property:

• PKA: 4.44±0.60(Predicted)
• PSA: 179.59000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 2.97440
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

NLT 98% ^*data from raw suppliers

ITMN4077 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of ITMN 4077

There total 26 articles about ITMN 4077 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: 97.0%

tert-butyl (2R,6S,13aS,14aR,16aS,Z)-2-(9H-fluorene-9-ylideneaminooxy)-14a-(cyclopropylsulfonylcarbamoyl)5,16-dioxo-1,2 ,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydronaphthylcyclopropanoyl[e]pyrrolo [1,2-a][1,4]diazacyclopentadecyne-6-yl-carbamate → tert-butyl (2R,6S,13aS,14aR,16aS,Z)-14a-(cyclopropylsulfonylcarbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8, 9,10,11,13a,14,14a,15,16,16a-hexadecahydronaphthylcyclopropanoyl[e]pyrrolo[1,2-a][1,4]diazacyclopenta decyne-6-yl-carbamate (790305-05-4)

Guidance literature:

With acetic acid; zinc; at 40 ℃; for 1h;

Reference yield: 73.0%

[18-(tert-butyl-dimethyl-silanyloxy)-4-cyclopropanesulfonylaminocarbonyl-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-carbamic acid tert-butyl ester → tert-butyl (2R,6S,13aS,14aR,16aS,Z)-14a-(cyclopropylsulfonylcarbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8, 9,10,11,13a,14,14a,15,16,16a-hexadecahydronaphthylcyclopropanoyl[e]pyrrolo[1,2-a][1,4]diazacyclopenta decyne-6-yl-carbamate (790305-05-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 18h;

Reference yield: 46.0%

(1S,4R,6S,14S,18R)-(4-cyclopropanesulfonylaminocarbonyl-2,15-dioxo-18-triisopropylsilanyloxy-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-7-en-4-yl)-carbamic acid tert-butyl ester → tert-butyl (2R,6S,13aS,14aR,16aS,Z)-14a-(cyclopropylsulfonylcarbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8, 9,10,11,13a,14,14a,15,16,16a-hexadecahydronaphthylcyclopropanoyl[e]pyrrolo[1,2-a][1,4]diazacyclopenta decyne-6-yl-carbamate (790305-05-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 2h;

upstream raw materials:

N-Boc-(1R,2S)-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester

ethyl (1R,2S)-1-amino-2-vinylcyclopropanecarboxylate hydrochloride

(1R,2S)/(1S,2R) 1-amino-2-vinylcyclopropane carboxylic acid ethyl ester

C₂₁H₂₁NO₂

Downstream raw materials:

C₃₂H₄₄N₄O₈S

C₃₈H₄₈N₄O₈S

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