3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-(9ci)

Base Information

Chemical Name:3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-(9ci)
CAS No.:119375-01-8
Molecular Formula:C₂₂H₃₁N₃O₂
Molecular Weight:369.507
Hs Code.:
Wikidata:Q104169757
Mol file:119375-01-8.mol

Synonyms:3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-(9ci)

Suppliers and Price of 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-(9ci)

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
PENDOLMYCIN 95.00%
5MG
$ 504.30

Total 6 raw suppliers

Chemical Property of 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-(9ci)

Chemical Property:

Vapor Pressure:4.98E-16mmHg at 25°C
Boiling Point:615.9 °C at 760 mmHg
Flash Point:326.3 °C
PSA：68.36000
Density:1.097 g/cm³
LogP:3.51930
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:369.24162724
Heavy Atom Count:27
Complexity:562

Purity/Quality:

99% ^*data from raw suppliers

PENDOLMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C)(C)C=C)CO

Technology Process of 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-(9ci)

There total 44 articles about 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-(9ci) 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%

: 131226-09-0,131320-94-0
(10S,13S)-5-(1,1-Dimethyl-allyl)-10-isopropyl-9-methyl-11-oxo-3,9,12-triaza-tricyclo[6.6.1.0^4,15]pentadeca-1,4,6,8⁽¹⁵⁾-tetraene-13-carboxylic acid ethyl ester

: 119375-01-8,138512-90-0
(-)-pendolmycin

Guidance literature:: With sodium tetrahydroborate; lithium chloride; In tetrahydrofuran; ethanol; at 20 ℃; for 10h;
DOI:10.1016/S0040-4020(01)87818-2

Reference yield: 70.0%

: 1638769-34-2
C₂₈H₄₅N₃O₂Si

: 119375-01-8,138512-90-0
(-)-pendolmycin

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran;
DOI:10.1039/c4sc00256c

Reference yield:

: 5616-87-5
N-Methyl-(S)-valin-tert-butylester

: 119375-01-8,138512-90-0
(-)-pendolmycin

Guidance literature:: Multi-step reaction with 10 steps

1: 1) ClCO₂Et-THF, Et₃N / 1) THF, -20 deg C, 15 min, 2a) -20 deg C, 15 min, 2b) 18 deg C, 1.5h

2: 31 mg / Mg / tetrahydrofuran / 2.25 h / -20 °C

3: 85 percent / p-TsOH*H₂O / benzene / 0.05 h / 90 °C

4: 78 percent / Lawesson reagent / tetrahydrofuran / 0.5 h / 80 °C

5: 73 percent / MeI / dimethylformamide / 18 h / 20 °C

6: 57 percent / Na₂CO₃ / CH₂Cl₂ / 18 h / 20 °C

7: 90 percent / Al-Hg, water / tetrahydrofuran / 2 h / 45 - 50 °C

8: TFA / 28 h / 20 °C

9: 5percent Et₃N/DMF, 5percent DEPC/DMF / dimethylformamide / 24 h / 20 °C

10: 97 percent / NaBH₄, LiCl / ethanol; tetrahydrofuran / 10 h / 20 °C

With Lawessons reagent; sodium tetrahydroborate; aluminium amalgam; water; chloroformic acid ethyl ester; sodium carbonate; toluene-4-sulfonic acid; magnesium; triethylamine; N,N-dimethyl-formamide; diethyl dicarbonate; trifluoroacetic acid; lithium chloride; methyl iodide; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide; benzene;
DOI:10.1016/S0040-4020(01)87818-2