cyclohexane-1-carbonyl-D-alanyl-3-O-methylprotoansatrienin

Base Information

Chemical Name:cyclohexane-1-carbonyl-D-alanyl-3-O-methylprotoansatrienin
CAS No.:98873-83-7
Molecular Formula:C36H50 N2 O7
Molecular Weight:622.802
Hs Code.:
ChEMBL ID:CHEMBL2017441
Mol file:98873-83-7.mol

Synonyms:19-deoxymycotrienin II;trienomycin A

Suppliers and Price of cyclohexane-1-carbonyl-D-alanyl-3-O-methylprotoansatrienin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
TRIENOMYCIN A 95.00%
5MG
$ 504.66

Total 0 raw suppliers

Chemical Property of cyclohexane-1-carbonyl-D-alanyl-3-O-methylprotoansatrienin

Chemical Property:

Vapor Pressure:1.83E-28mmHg at 25°C
Boiling Point:820.2°Cat760mmHg
Flash Point:449.8°C
PSA：141.17000
Density:1.18g/cm³
LogP:6.60620
XLogP3:5.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:622.36180194
Heavy Atom Count:45
Complexity:1080

Purity/Quality:: TRIENOMYCIN A 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(CC=CC=CC=CC(CC(=O)NC2=CC(=CC(=C2)CCC=C(C1O)C)O)OC)OC(=O)C(C)NC(=O)C3CCCCC3
Isomeric SMILES:C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=CC(=C2)CC/C=C(\[C@@H]1O)/C)O)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3

Technology Process of cyclohexane-1-carbonyl-D-alanyl-3-O-methylprotoansatrienin

There total 31 articles about cyclohexane-1-carbonyl-D-alanyl-3-O-methylprotoansatrienin 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: 86.0%

: 180628-68-6
(R)-2-(Cyclohexanecarbonyl-amino)-propionic acid (6E,8E,10E,16Z)-(5R,13S,14R,15R)-22-(tert-butyl-dimethyl-silanyloxy)-15-hydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-aza-bicyclo[18.3.1]tetracosa-1⁽²⁴⁾,6,8,10,16,20,22-heptaen-13-yl ester

: 98873-83-7
(+)-trienomycin A

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; methanol; at 25 ℃; for 1h;
DOI:10.1016/S0040-4039(00)74289-4

Reference yield:

: 117543-72-3
(+)-trienomycinol

: 98873-83-7
(+)-trienomycin A

Guidance literature:: Multi-step reaction with 7 steps

1: CSA

2: 71 percent / i-Pr₂EtN / CH₂Cl₂

3: 95 percent / camphorosulfonic acid / methanol

4: 56 percent / DMAP / CH₂Cl₂ / -78 °C

5: Et₂NH / CH₂Cl₂ / 0.5 h / 25 °C

6: benzotriazol-1-yloxytris(dimethylamino phosphonium hexafluorophosphate (BOP), Et₃N / CH₂Cl₂

7: 86 percent / TBAF / methanol; tetrahydrofuran

With dmap; camphor-10-sulfonic acid; tetrabutyl ammonium fluoride; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; diethylamine; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/ja961400i

Reference yield:

: 134861-32-8
(6E,8E,10E,16Z)-(5R,13S,14S,15R)-22-(tert-Butyl-dimethyl-silanyloxy)-13,15-dihydroxy-5-methoxy-14,16-dimethyl-2-aza-bicyclo[18.3.1]tetracosa-1⁽²⁴⁾,6,8,10,16,20,22-heptaen-3-one

: 98873-83-7
(+)-trienomycin A

Guidance literature:: Multi-step reaction with 4 steps

1: 56 percent / DMAP / CH₂Cl₂ / -78 °C

2: Et₂NH / CH₂Cl₂ / 0.5 h / 25 °C

3: benzotriazol-1-yloxytris(dimethylamino phosphonium hexafluorophosphate (BOP), Et₃N / CH₂Cl₂

4: 86 percent / TBAF / methanol; tetrahydrofuran

With dmap; tetrabutyl ammonium fluoride; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; diethylamine; triethylamine; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/ja961400i