(E,E)-1,1'-(1,4-Phenylene)bis(5-(diethylamino)-4,4-dimethyl-1-penten-3-one) dihydrobromide

Base Information

Chemical Name:(E,E)-1,1'-(1,4-Phenylene)bis(5-(diethylamino)-4,4-dimethyl-1-penten-3-one) dihydrobromide
CAS No.:125563-95-3
Molecular Formula:C28H44 N2 O2 . 2 Br H
Molecular Weight:602.491
Hs Code.:
UNII:9K0C44112H
Wikidata:Q27891015
Mol file:125563-95-3.mol

Synonyms:NC 758;NC-758;NC758

Suppliers and Price of (E,E)-1,1'-(1,4-Phenylene)bis(5-(diethylamino)-4,4-dimethyl-1-penten-3-one) dihydrobromide

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
NC 758 95.00%
5MG
$ 504.78

Total 3 raw suppliers

Chemical Property of (E,E)-1,1'-(1,4-Phenylene)bis(5-(diethylamino)-4,4-dimethyl-1-penten-3-one) dihydrobromide

Chemical Property:

Vapor Pressure:1.01E-12mmHg at 25°C
Boiling Point:563.5°Cat760mmHg
Flash Point:206.2°C
PSA：40.62000
Density:g/cm³
LogP:7.50340
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:602.19055
Heavy Atom Count:34
Complexity:576

Purity/Quality:

98%min ^*data from raw suppliers

NC 758 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)C=CC(=O)C(C)(C)CN(CC)CC.Br.Br
Isomeric SMILES:CCN(CC(C(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C(CN(CC)CC)(C)C)(C)C)CC.Br.Br

Technology Process of (E,E)-1,1'-(1,4-Phenylene)bis(5-(diethylamino)-4,4-dimethyl-1-penten-3-one) dihydrobromide

There total 3 articles about (E,E)-1,1'-(1,4-Phenylene)bis(5-(diethylamino)-4,4-dimethyl-1-penten-3-one) dihydrobromide 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: 69.0%

: 125564-11-6
1,4-bis(4-methyl-3-oxo-1-pentenyl)benzene

: 99025-50-0
N,N-diethyl(methylene)immonium bromide

: 125563-95-3
1,4-bis(5-diethylamino-4,4-dimethyl-3-oxo-1-pentenyl)benzene

Guidance literature:: With hydrogen bromide; In acetonitrile; at 70 - 90 ℃;
DOI:10.1016/0223-5234(89)90002-0

Reference yield:

: 563-80-4
3-methyl-butan-2-one

: 125563-95-3
1,4-bis(5-diethylamino-4,4-dimethyl-3-oxo-1-pentenyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / sodium hydroxide / H₂O / 24 h / 60 °C

2: 69 percent / 2.) methanolic HBr / acetonitrile / 70 - 90 °C

With sodium hydroxide; hydrogen bromide; In water; acetonitrile;
DOI:10.1016/0223-5234(89)90002-0

Reference yield:

: 643-79-8
o-phthalic dicarboxaldehyde

: 125563-95-3
1,4-bis(5-diethylamino-4,4-dimethyl-3-oxo-1-pentenyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / sodium hydroxide / H₂O / 24 h / 60 °C

2: 69 percent / 2.) methanolic HBr / acetonitrile / 70 - 90 °C

With sodium hydroxide; hydrogen bromide; In water; acetonitrile;
DOI:10.1016/0223-5234(89)90002-0