1-Bromo-7-phenylheptane

Base Information

• Chemical Name: 1-Bromo-7-phenylheptane
• CAS No.: 78573-85-0
• Molecular Formula: C13H19 Br
• Molecular Weight: 255.198
• Hs Code.: 2903999090
• European Community (EC) Number: 671-048-3
• DSSTox Substance ID: DTXSID90370825
• Nikkaji Number: J580.399C
• Wikidata: Q72449490
• Mol file: 78573-85-0.mol

Synonyms:1-Bromo-7-phenylheptane;78573-85-0;(7-bromoheptyl)benzene;7-bromoheptylbenzene;1-bromo-7-phenyl-heptane;MFCD02093564;Benzene, (7-bromoheptyl)-;7-bromanylheptylbenzene;1-bromo-7phenyl heptane;1-bromo-7-phenyl heptane;SCHEMBL1773132;DTXSID90370825;ASLQYSAHLPRDAY-UHFFFAOYSA-N;AKOS015918759;FS-5202;CS-0322436;FT-0641684;A839446

Chemical Property of 1-Bromo-7-phenylheptane

Chemical Property:

• Vapor Pressure: 0.000813mmHg at 25°C
• Boiling Point: 92-94°C
• Flash Point: 165.2°C
• PSA: 0.00000
• Density: 1.17g/cm³
• LogP: 4.57450
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 254.06701
• Heavy Atom Count: 14
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-7-phenylheptane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCCCCBr

Technology Process of 1-Bromo-7-phenylheptane

There total 11 articles about 1-Bromo-7-phenylheptane 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: 82.0%

1,7-dibromoheptane (4549-31-9) + phenyllithium (591-51-5) → 1-bromo-7-phenyl-heptane (78573-85-0)

Guidance literature:

In tetrahydrofuran; diethyl ether; cyclohexane; -78 deg C to rt;

DOI:10.1021/jo981617q

Reference yield: 80.6%

1-acetoxy-7-phenylheptane (155446-29-0) → 1-bromo-7-phenyl-heptane (78573-85-0)

Guidance literature:

With hydrogen bromide; Heating;

DOI:10.1080/00397919408020770

Reference yield: 52.0%

1 ,6-dibromohexane (629-03-8) + Li2 CuCl4 + benzylmagnesium chloride (6921-34-2) → 1-bromo-7-phenyl-heptane (78573-85-0)

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

7-phenylheptan-1-ol

1-acetoxy-7-phenylheptane

1 ,6-dibromohexane

benzylmagnesium chloride

Downstream raw materials:

2-(7-phenylheptyl)isoindoline-1,3-dione

2-(8-phenyloctyl) benzaldehyde

Triphenyl-(7-phenyl-heptyl)-phosphonium; bromide

1-(7-phenylheptyl)imidazole

Refernces

• 1、 Spencer, Thomas A.,Onofrey, Thomas J.,Cann, Reginald O.,Russel, Jonathon S.,Lee, Laura E.,Blanchard, Daniel E.,Castro, Alfredo,Gu, Peide,Jiang, Guojian,Shechter, Ishaiahu. "Zwitterionic sulfobetaine inhibitors of squalene synthase". . p. 807 - 818. Retrieved 2007/10/03.
• 2、 Marcinek, Andrzej,Platz, Matthew S.,Chan, Stephen Y.,Floresca, Rey,Rajagopalan, Krishnan,et al.. "Unusually Long Lifetimes of the Singlet Derived from 4-Azido-2,3,5,6-tetrafluorobenzamides". . p. 412 - 419. Retrieved 2007/10/02.