4'-tert-Butyl-4-chlorobutyrophenone

Base Information Edit

Chemical Name:4'-tert-Butyl-4-chlorobutyrophenone
CAS No.:43076-61-5
Molecular Formula:C14H19ClO
Molecular Weight:238.757
Hs Code.:2914700090
European Community (EC) Number:256-077-8
DSSTox Substance ID:DTXSID1057745
Nikkaji Number:J622.749J
Wikidata:Q72502661
ChEMBL ID:CHEMBL3185627
Mol file:43076-61-5.mol

Synonyms:43076-61-5;4'-tert-Butyl-4-chlorobutyrophenone;1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one;1-(4-tert-butylphenyl)-4-chlorobutan-1-one;4'-tertbutyl-4-chlorobutyrophenone;C14H19ClO;DTXSID1057745;1-(4-tert-butylphenyl)-4-chloro-1-butanone;EINECS 256-077-8;1-Butanone, 4-chloro-1-(4-(1,1-dimethylethyl)phenyl)-;1-Butanone, 4-chloro-1-[4-(1,1-dimethylethyl)phenyl]-;butyrophenone derivative;SCHEMBL2240591;4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]- 1-butanone;CHEMBL3185627;DTXCID2031534;RLKSQLJFGCDUOX-UHFFFAOYSA-N;p-t-butyl-gamma-chlorobutyrophenone;Tox21_113820;4'-Tert Butyl-4-Chlorobutyrophenone;4-Chloro-4'-tert-butylbutyrophenone;MFCD00018996;4' -tert-butyl-4-chlorobutyrophenone;4-tert-Butyl-gamma-chlorobutyrophenone;4/'-Tert-Butyl-4-chlorobutyrophenone;4\'-tert-Butyl-4-chlorobutyrophenone;AKOS009159383;CS-W009484;4'-tert-Butyl-gamma-chlorobutyrophenone;NCGC00253699-01;AC-15785;BS-16808;4'-tert-Butyl-4-chlorobutyrophenone, 98%;CAS-43076-61-5;B3144;FT-0619486;D88988;1-(4-Tert-Butyl-phenyl)-4-chloro-butan-1-one;4-Chloro-1(1,1-Dimethylethyl)Phenyl-1-Butanone;SR-01000944766;SR-01000944766-1;W-110982;4 -chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone;F0001-1187

Suppliers and Price of 4'-tert-Butyl-4-chlorobutyrophenone

Supply Marketing:Edit

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

TRC
1-(4-tert-Butylphenyl)-4-chloro-1-butanone
250g
$ 80.00

TCI Chemical
4'-tert-Butyl-4-chlorobutyrophenone >95.0%(GC)
25g
$ 74.00

Rieke Metals
1-(4-(tert-butyl)phenyl)-4-chlorobutan-1-one
1g
$ 661.00

Rieke Metals
1-(4-(tert-butyl)phenyl)-4-chlorobutan-1-one
5g
$ 1728.00

Matrix Scientific
1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one 96%
1g
$ 95.00

Matrix Scientific
1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one 96%
10g
$ 378.00

Matrix Scientific
1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one 96%
5g
$ 252.00

Crysdot
1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one 96%
1000g
$ 513.00

Chemenu
1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one 95+%
1000g
$ 484.00

Apolloscientific
4'-tert-Butyl-4-chlorobutyrophenone 95+%
25g
$ 167.00

Total 89 raw suppliers

Chemical Property of 4'-tert-Butyl-4-chlorobutyrophenone Edit

Chemical Property:

Appearance/Colour:White to very slightly yellow powder
Melting Point:47-49 °C(lit.)
Refractive Index:1.5260 (estimate)
Boiling Point:347.9 °C at 760 mmHg
Flash Point:207.6 °C
PSA：17.07000
Density:1.028 g/cm³
LogP:4.18580
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:soluble in Methanol
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:238.1124429
Heavy Atom Count:16
Complexity:221

Purity/Quality:

99% ^*data from raw suppliers

1-(4-tert-Butylphenyl)-4-chloro-1-butanone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn, N
Hazard Codes:Xn,N
Statements: 22-41-43-51/53
Safety Statements: 26-36/37/39-61-7/8-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl

Technology Process of 4'-tert-Butyl-4-chlorobutyrophenone

There total 6 articles about 4'-tert-Butyl-4-chlorobutyrophenone 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: 90.0%

: 63488-10-8
4-tert-butylmagnesium bromide

: 4635-59-0
4-Chlorobutanoyl chloride

: 43076-61-5
4'-tert-butyl-4-chlorobutyrophenone

Guidance literature:: 4-Chlorobutanoyl chloride; With 1-methyl-pyrrolidin-2-one; In toluene; at 0 ℃; for 0.5h;

4-tert-butylmagnesium bromide; In tetrahydrofuran; toluene; at -10 - 0 ℃; for 4.25h; chemoselective reaction;
DOI:10.1039/c1ob05780d

Reference yield: 85.0%

: 1-(4-(tert-butyl)phenyl)cyclobutan-1-ol

: 43076-61-5
4'-tert-butyl-4-chlorobutyrophenone

Guidance literature:: With 1,10-Phenanthroline; tert-butylhypochlorite; silver trifluoromethanesulfonate; In acetonitrile; at 20 ℃; for 6h; regioselective reaction; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.5b03649