ethyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

Base Information

Chemical Name:ethyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CAS No.:78816-43-0
Molecular Formula:C₂₇H₃₄N₄O₃
Molecular Weight:462.592
Hs Code.:
DSSTox Substance ID:DTXSID801000063
ChEMBL ID:CHEMBL1622304
Mol file:78816-43-0.mol

Synonyms:78816-43-0;ethyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;Carbamic acid, (5-(3-(hexahydropyrrolo(1,2-a)pyrazine-2(1H)-yl)-1-oxopropyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester;CBDivE_009806;Oprea1_649086;CHEMBL1622304;DTXSID801000063;Ethyl hydrogen {5-[3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbonimidate

Suppliers and Price of ethyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

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
CARBAMIC ACID, (5-(3-(HEXAHYDROPYRROLO(1,2-A)PYRAZINE-2(1H)-YL)-1-OXOP ROPYL)-10,11-DIHYDRO-5H-DIBENZ(B,F)AZEPIN-3-YL)-, ETHYL ESTER 95.00%
5MG
$ 504.20

Total 1 raw suppliers

Chemical Property of ethyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

Chemical Property:

Vapor Pressure:2.08E-16mmHg at 25°C
Boiling Point:642.7°C at 760 mmHg
Flash Point:342.5°C
PSA：68.61000
Density:1.27g/cm³
LogP:4.14280
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:462.26309096
Heavy Atom Count:34
Complexity:718

Purity/Quality:

99% ^*data from raw suppliers

CARBAMIC ACID, (5-(3-(HEXAHYDROPYRROLO(1,2-A)PYRAZINE-2(1H)-YL)-1-OXOP ROPYL)-10,11-DIHYDRO-5H-DIBENZ(B,F)AZEPIN-3-YL)-, ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN4CCN5CCCC5C4)C=C1

Technology Process of ethyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

There total 3 articles about ethyl N-[11-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate 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:

: 10464-35-4
3-amino-10,11-dihydro-5H-dibenzazepine

: 78816-43-0
3-Carbethoxyamino-5-β-(1,4-diazabicyclo<4.3.0>non-4-yl)propionyl-iminodibenzyl

Guidance literature:: Multi-step reaction with 3 steps

1: Na₂CO₃ / acetone; H₂O / 1.5 h

2: toluene / 4 h / Heating

3: toluene / 4 h / 70 - 110.8 °C

With sodium carbonate; In water; acetone; toluene;