1-Heptyl-4-iodobenzene

Base Information

Chemical Name:1-Heptyl-4-iodobenzene
CAS No.:131894-91-2
Molecular Formula:C13H19 I
Molecular Weight:302.198
Hs Code.:2903999090
European Community (EC) Number:681-028-6
DSSTox Substance ID:DTXSID60566778
Nikkaji Number:J31.753E
Wikidata:Q82452533
Mol file:131894-91-2.mol

Synonyms:1-n-Heptyl-4-iodobenzene;1-heptyl-4-iodobenzene;131894-91-2;Benzene, 1-heptyl-4-iodo-;SCHEMBL7466292;DTXSID60566778;MFCD07777084;AKOS022180723;AS-80209;CS-0337866

Suppliers and Price of 1-Heptyl-4-iodobenzene

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

Crysdot
1-Heptyl-4-iodobenzene 98%
10g
$ 330.00

American Custom Chemicals Corporation
1-N-HEPTYL-4-IODOBENZENE 98.00%
10G
$ 1940.40

American Custom Chemicals Corporation
1-N-HEPTYL-4-IODOBENZENE 98.00%
1G
$ 121.80

Alfa Aesar
1-n-Heptyl-4-iodobenzene, 98%
10g
$ 88.90

Alfa Aesar
1-n-Heptyl-4-iodobenzene, 98%
1g
$ 43.20

Total 7 raw suppliers

Chemical Property of 1-Heptyl-4-iodobenzene

Chemical Property:

Vapor Pressure:0.00184mmHg at 25°C
Refractive Index:1.546
Boiling Point:165°C/10mm
Flash Point:165°C/10mm
PSA：0.00000
Density:1.332g/cm³
LogP:4.80410
Sensitive.:Light Sensitive
XLogP3:6.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:6
Exact Mass:302.05315
Heavy Atom Count:14
Complexity:125

Purity/Quality:

98%min ^*data from raw suppliers

1-Heptyl-4-iodobenzene 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC1=CC=C(C=C1)I

Technology Process of 1-Heptyl-4-iodobenzene

There total 6 articles about 1-Heptyl-4-iodobenzene 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: 70.0%

: 50606-96-7
4-heptylbenzoyl chloride

: 131894-91-2
1-(n-heptyl)-4-iodobenzene

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 125 ℃; for 12h;
DOI:10.1038/s41557-018-0078-8

Reference yield:

: 37529-27-4
4-heptylaniline

: 131894-91-2
1-(n-heptyl)-4-iodobenzene

Guidance literature:: With hydrogenchloride; Diazotization_.Behandlung der Diazoniumsalz-Loesung mit KI;

Reference yield:

: 28741-07-3
heptyl boronic acid

: 131894-91-2
1-(n-heptyl)-4-iodobenzene

Guidance literature:: Multi-step reaction with 3 steps

1: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate monohydrate; palladium diacetate / toluene

2: palladium on activated charcoal; hydrogen / ethanol

3: hydrogenchloride; sodium nitrite / water / Cooling with ice

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; hydrogenchloride; potassium phosphate monohydrate; palladium on activated charcoal; hydrogen; palladium diacetate; sodium nitrite; In ethanol; water; toluene; 1: Suzuki coupling;
DOI:10.1016/j.bmcl.2011.12.043