4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol

Base Information

• Chemical Name: 4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol
• CAS No.: 56041-75-9
• Molecular Formula: C11H13 Br O
• Molecular Weight: 241.128
• European Community (EC) Number: 259-955-9
• NSC Number: 297313
• DSSTox Substance ID: DTXSID10973190
• Nikkaji Number: J296.548H
• Mol file: 56041-75-9.mol

Synonyms:1-(4-bromophenyl)-1-cyclopropylethanol;56041-75-9;4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol;EINECS 259-955-9;57623-07-1;NSC297313;4-bromo-alpha-cyclopropyl-alpha-methylbenzylalcohol;SCHEMBL10161396;DTXSID10973190;C(C)(O)(C1CC1)c2ccc(Br)cc2;AKOS015155651;NSC 297313;NSC-297313;1-(4-bromo-phenyl)-1-cyclopropyl-ethanol;1-(4-bromophenyl)-1-cyclopropylethan-1-ol;FT-0617849;4-Bromo-alpha-cyclopropyl-alpha-methylbenzenemethanol

Chemical Property of 4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol

Chemical Property:

• Vapor Pressure: 8.67E-05mmHg at 25°C
• Boiling Point: 326.6°Cat760mmHg
• Flash Point: 151.3°C
• PSA: 20.23000
• Density: 1.482g/cm³
• LogP: 3.06660
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 240.01498
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Bromophenyl)-1-cyclopropylethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CC1)(C2=CC=C(C=C2)Br)O

Technology Process of 4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol

There total 4 articles about 4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol 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: 75.0%

(4-bromophenyl)(cyclopropyl)methanone (6952-89-2) → 1-(4-bromophenyl)-1-cyclopropylethan-1-ol (56041-75-9)

Guidance literature:

With methylmagnesium bromide; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

Reference yield:

(4-bromophenyl)(cyclopropyl)methanone (6952-89-2) + methylmagnesium bromide (75-16-1) → 1-(4-bromophenyl)-1-cyclopropylethan-1-ol (56041-75-9)

Guidance literature:

(4-bromophenyl)(cyclopropyl)methanone; methylmagnesium bromide; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; for 2.16667h;

With ammonium chloride; In tetrahydrofuran; diethyl ether; water; at 20 ℃; Product distribution / selectivity;

Reference yield:

Cyclopropyl methyl ketone (765-43-5) + 1.4-dibromobenzene (106-37-6) → 1-(4-bromophenyl)-1-cyclopropylethan-1-ol (56041-75-9)

Guidance literature:

1.4-dibromobenzene; With TurboGrignard; In tetrahydrofuran; at -4 - 20 ℃; for 23h; Large scale;

Cyclopropyl methyl ketone; In tetrahydrofuran; at 0 - 20 ℃; for 3h; Large scale;

DOI:10.1021/acs.oprd.7b00202

upstream raw materials:

Cyclopropyl methyl ketone

(4-bromophenyl)magnesium bromide

(4-bromophenyl)(cyclopropyl)methanone

methylmagnesium bromide

Downstream raw materials:

2-(4-bromo-phenyl)-2-cyclopropylpropionitrile

2-{2-[4-(3-{(R)-1-[4-(2-amino-pyrimidin-5-yl)-phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl)-pyrazol-1-yl]-ethyl}-isoindole-1,3-dione

5-(4-{(R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-[1,2,4]oxadiazol-3-yl]ethyl}phenyl)pyrimidin-2-ylamine

2-[4-(3-{(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide

Refernces

• 1、 -. "HISTONE DEMETHYLASE INHIBITORS". Paragraph 00278. . Retrieved 2016/04/09.
• 2、 -. "OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY". Paragraph 0224. . Retrieved 2013/08/14.