(3-Bromopropyl)cyclohexane

Base Information

• Chemical Name: (3-Bromopropyl)cyclohexane
• CAS No.: 34094-21-8
• Molecular Formula: C9H17Br
• Molecular Weight: 205.138
• Hs Code.: 2903890090
• European Community (EC) Number: 251-824-4
• NSC Number: 73714
• UNII: VOX04I4D2L
• DSSTox Substance ID: DTXSID00187688
• Nikkaji Number: J287.858E
• Wikidata: Q83059398
• Mol file: 34094-21-8.mol

Synonyms:(3-Bromopropyl)cyclohexane;34094-21-8;3-bromopropylcyclohexane;3-cyclohexylpropyl bromide;1-bromo-3-cyclohexylpropane;VOX04I4D2L;EINECS 251-824-4;NSC-73714;C9H17Br;NSC73714;UNII-VOX04I4D2L;SCHEMBL80082;3-(cyclohexyl)propyl bromide;C9-H17-Br;3-Cyclohexyl-1-propyl bromide;DTXSID00187688;NSC 73714;AKOS011896734;AB87270;CYCLOHEXANE, (3-BROMOPROPYL)-;3-CYCLOHEXYLPROPAN-1-YL BROMIDE;CS-0256953;EN300-657209;F78959

Chemical Property of (3-Bromopropyl)cyclohexane

Chemical Property:

• Vapor Pressure: 0.138mmHg at 25°C
• Refractive Index: 1.48
• Boiling Point: 224.3 °C at 760 mmHg
• Flash Point: 90.3 °C
• PSA: 0.00000
• Density: 1.18 g/cm³
• LogP: 3.74180
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 204.05136
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

99.3% ^*data from raw suppliers

(3-Bromopropyl)cyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)CCCBr

Technology Process of (3-Bromopropyl)cyclohexane

There total 7 articles about (3-Bromopropyl)cyclohexane 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: 100.0%

3-cyclohexylpropan-1-ol (1124-63-6) → (3-bromopropyl)cyclohexane (34094-21-8)

Guidance literature:

With phosphorus tribromide; at 0 - 100 ℃;

DOI:10.1002/anie.200906753

Reference yield:

1,3-dibromo-propane (109-64-8) + cyclohexylmagnesium bromide (931-50-0) → (3-bromopropyl)cyclohexane (34094-21-8)

Guidance literature:

With copper(I) bromide; lithium bromide; In tetrahydrofuran; at 50 - 55 ℃; for 1h;

Reference yield:

cyclohexanepropionic acid (701-97-3) → (3-bromopropyl)cyclohexane (34094-21-8)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran

2: PBr₃ / diethyl ether; diethyl ether / 16 h / Ambient temperature

With lithium aluminium tetrahydride; phosphorus tribromide; In tetrahydrofuran; diethyl ether;

DOI:10.1248/cpb.40.2391

upstream raw materials:

3-cyclohexylpropan-1-ol

bis-(3-cyclohexyl-propyl)-ether

1,3-dibromo-propane

cyclohexylmagnesium bromide

Downstream raw materials:

2-[bis-(3-cyclohexyl-propyl)-amino]-ethanol

5-(3-Cyclohexyl-propyl)-[1,3,4]thiadiazol-2-ylamine

2-(3-Cyclohexyl-propyl)-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

6,7-Diamino-2-(3-cyclohexyl-propyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Refernces

• 1、 Manickam, Manoj,Jalani, Hitesh B.,Pillaiyar, Thanigaimalai,Sharma, Niti,Boggu, Pulla Reddy,Venkateswararao, Eeda,Lee, You-Jung,Jeon, Eun-Seok,Jung, Sang-Hun. "Exploration of flexible phenylpropylurea scaffold as novel cardiac myosin activators for the treatment of systolic heart failure". . p. 379 - 391. Retrieved 2017/04/24.
• 2、 -. "Compounds with cardiac myosin activating function and pharmaceutical composition containing the same for treating or preventing heart failure". Paragraph 0629-0631. . Retrieved 2016/10/07.