N-[(7S)-10-(dimethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Base Information

Chemical Name:N-[(7S)-10-(dimethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CAS No.:2731-13-7
Molecular Formula:C₂₃H₂₈N₂O₅
Molecular Weight:412.486
Hs Code.:
DSSTox Substance ID:DTXSID901114675
ChEMBL ID:CHEMBL357199

Synonyms:CHEMBL357199;Colchiceinamide, N,N-dimethyl-;DTXSID901114675;10-Dimethylamino-10-demethoxycolchicine;N-[(7S)-10-(dimethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;Acetamide, N-[(7S)-10-(dimethylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]-;N-[(7S)-10-(Dimethylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide

Suppliers and Price of N-[(7S)-10-(dimethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

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

Total 2 raw suppliers

Chemical Property of N-[(7S)-10-(dimethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Chemical Property:

Vapor Pressure:8.03E-20mmHg at 25°C
Boiling Point:706.7°Cat760mmHg
PKA:14.80±0.40(Predicted)
Flash Point:381.2°C
PSA：77.10000
Density:1.23g/cm³
LogP:3.31990
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:412.19982200
Heavy Atom Count:30
Complexity:770

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N(C)C)OC)OC)OC
Isomeric SMILES:CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N(C)C)OC)OC)OC

Technology Process of N-[(7S)-10-(dimethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

There total 1 articles about N-[(7S)-10-(dimethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide 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:

: 64-86-8,54192-66-4
colchicine

: 124-40-3
dimethyl amine

: 2731-13-7
N-((S)-10-dimethylamino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide

Guidance literature:: With ethanol;
DOI:10.1021/ja01132a511

Reference yield:

: 2731-13-7
N-((S)-10-dimethylamino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide

: C₃₂H₃₅BrN₂O₇

Guidance literature:: Multi-step reaction with 4 steps

1: sulfuric acid / water / 5 h / Reflux

2: pyridine / 5 h / 60 °C

3: thionyl chloride; N,N-dimethyl-formamide / 5 h / Reflux

4: dichloromethane / 12 h / 20 °C

With thionyl chloride; sulfuric acid; N,N-dimethyl-formamide; In pyridine; dichloromethane; water;
DOI:10.14233/ajchem.2013.15072

Reference yield:

: 2731-13-7
N-((S)-10-dimethylamino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide

: C₃₂H₃₅N₃O₁₀

Guidance literature:: Multi-step reaction with 5 steps

1: sulfuric acid / water / 5 h / Reflux

2: pyridine / 5 h / 60 °C

3: thionyl chloride; N,N-dimethyl-formamide / 5 h / Reflux

4: dichloromethane / 12 h / 20 °C

5: silver nitrate / acetonitrile / 15 h / Reflux

With thionyl chloride; sulfuric acid; silver nitrate; N,N-dimethyl-formamide; In pyridine; dichloromethane; water; acetonitrile;
DOI:10.14233/ajchem.2013.15072