N-[2-[(1S)-5-bromo-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide

Base Information

Chemical Name:N-[2-[(1S)-5-bromo-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide
CAS No.:196597-85-0
Molecular Formula:C₁₇H₂₂BrNO₂
Molecular Weight:352.271
Hs Code.:
DSSTox Substance ID:DTXSID201130731

Synonyms:196597-85-0;N-[2-[(1S)-5-bromo-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide;(S)-N-(2-(6-(Allyloxy)-5-bromo-2,3-dihydro-1H-inden-1-yl)ethyl)propionamide;starbld0001349;SCHEMBL4684602;RUNQVOLEGAUOFH-LBPRGKRZSA-N;DTXSID201130731;N-[2-[(1S)-5-bromo-2,3-dihydro-6-(2-propen-1-yloxy)-1H-inden-1-yl]ethyl]propanamide;(S)-N-[2-(6-allyloxy-5-bromoindan-1-yl)ethyl]propionamide

Suppliers and Price of N-[2-[(1S)-5-bromo-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide

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

TRC
N-[2-[(1S)-5-bromo-2,3-dihydro-6-(2-propen-1-yloxy)-1H-inden-1-yl]ethyl]propanamide
10mg
$ 140.00

Total 5 raw suppliers

Chemical Property of N-[2-[(1S)-5-bromo-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:351.08339
Heavy Atom Count:21
Complexity:361

Purity/Quality:

99%, ^*data from raw suppliers

N-[2-[(1S)-5-bromo-2,3-dihydro-6-(2-propen-1-yloxy)-1H-inden-1-yl]ethyl]propanamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)NCCC1CCC2=CC(=C(C=C12)OCC=C)Br
Isomeric SMILES:CCC(=O)NCC[C@@H]1CCC2=CC(=C(C=C12)OCC=C)Br

Technology Process of N-[2-[(1S)-5-bromo-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide

There total 6 articles about N-[2-[(1S)-5-bromo-6-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]ethyl]propanamide 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: 96.0%

: 106-95-6
allyl bromide

: 196597-84-9
(S)-N-[2-(5-bromo-6-hydroxy-2,3-dihydro-1H-inden-1-yl)ethyl]propionamide

: 196597-85-0
(S)-N-[2-(6-allyloxy-5-bromo-2,3-dihydro-1H-inden-1-yl)ethyl]propionamide

Guidance literature:: (S)-N-[2-(5-bromo-6-hydroxy-2,3-dihydro-1H-inden-1-yl)ethyl]propionamide; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃;

allyl bromide; In N,N-dimethyl-formamide; at 0 ℃; Further stages.;
DOI:10.1021/jm0201159

Reference yield:

: 13623-25-1
6-methoxy-2,3-dihydro-1H-inden-1-one

: 196597-85-0
(S)-N-[2-(6-allyloxy-5-bromo-2,3-dihydro-1H-inden-1-yl)ethyl]propionamide

Guidance literature:: Multi-step reaction with 6 steps

1.1: NaH / tetrahydrofuran / 20 °C

1.2: tetrahydrofuran / 20 °C

2.1: H₂; ethanolic NH₃ / Raney-Co

3.1: Et₃N / tetrahydrofuran / 0 °C

4.1: 86 percent / NaOAc; Br₂ / 0 °C

5.1: 94 percent / BBr₃ / CH₂Cl₂ / 0.67 h / -20 - 20 °C

6.1: NaH / dimethylformamide / 0 °C

6.2: 96 percent / dimethylformamide / 0 °C

With ammonia; hydrogen; bromine; sodium acetate; boron tribromide; sodium hydride; triethylamine; Raney-Co; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; 1.2: Horner-Emmons reaction;
DOI:10.1021/jm0201159

Reference yield:

: 187871-98-3
(E)-(2,3-dihydro-6-methoxy-1H-inden-1-ylidene)acetonitrile

: 196597-85-0
(S)-N-[2-(6-allyloxy-5-bromo-2,3-dihydro-1H-inden-1-yl)ethyl]propionamide

Guidance literature:: Multi-step reaction with 5 steps

1.1: H₂; ethanolic NH₃ / Raney-Co

2.1: Et₃N / tetrahydrofuran / 0 °C

3.1: 86 percent / NaOAc; Br₂ / 0 °C

4.1: 94 percent / BBr₃ / CH₂Cl₂ / 0.67 h / -20 - 20 °C

5.1: NaH / dimethylformamide / 0 °C

5.2: 96 percent / dimethylformamide / 0 °C

With ammonia; hydrogen; bromine; sodium acetate; boron tribromide; sodium hydride; triethylamine; Raney-Co; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm0201159