ChemicalBook > CAS DataBase List > 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine

1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine

Product Name
1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
CAS No.
1228780-72-0
Chemical Name
1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
Synonyms
Abt199 int3;Venetoclax Intermediate 1;1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl...;1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine;(4-(2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine;1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]Piperazine;Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-;"1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1- en-1-yl]methyl}piperazine" ;1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methy)piperazine
CBNumber
CB82742388
Molecular Formula
C19H27ClN2
Formula Weight
318.88
MOL File
1228780-72-0.mol
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1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine Property

Boiling point:
421.2±45.0 °C(Predicted)
Density 
1.072±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
pka
9.21±0.10(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C19H27ClN2/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15/h3-6,21H,7-14H2,1-2H3
InChIKey
YCNNHDUZLQPKJY-UHFFFAOYSA-N
SMILES
N1(CC2CCC(C)(C)CC=2C2=CC=C(Cl)C=C2)CCNCC1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
C596078
Product name
1-((4''-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1''-biphenyl]-2-yl)methyl)piperazine
Packaging
500mg
Price
$310
Updated
2021/12/16
SynQuest Laboratories
Product number
3H31-5-2M
Product name
1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazinedihydrochloridesalt
Purity
97.0%
Packaging
1g
Price
$490
Updated
2021/12/16
SynQuest Laboratories
Product number
3H31-5-2M
Product name
1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazinedihydrochloridesalt
Purity
97.0%
Packaging
5G
Price
$1290
Updated
2021/12/16
AK Scientific
Product number
0021AP
Product name
1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
Packaging
25g
Price
$1584
Updated
2021/12/16
SynQuest Laboratories
Product number
3H31-5-2M
Product name
1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazinedihydrochloridesalt
Purity
97.0%
Packaging
250mg
Price
$190
Updated
2021/12/16
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1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine Chemical Properties,Usage,Production

Uses

1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine is an intermediate of Venetoclax (ABT-199) which is a small, oral chemical molecule used for the treatment of chronic lymphocytic leukemia (CLL) associated with a specific chromosomal abnormality.

Synthesis

1228780-71-9

1228780-72-0

The general procedure for the synthesis of 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine-1-carboxylic acid tert-butyl ester as 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine was carried out as follows: at 0 °C, 4 M hydrochloric acid of an ethyl acetate solution (4 mL) was slowly added to a dichloromethane solution (15 mL) of compound 19 (0.6 g, 1.44 mmol). The reaction mixture was continued to be stirred at room temperature for 3 hours. Upon completion of the reaction, the reaction mixture was filtered, the filter cake was dissolved with water and neutralized with potassium phosphate. Subsequently, extraction was carried out with ethyl acetate (30 mL x 2). The organic phases were combined and dried with anhydrous sodium sulfate. Finally, the solvent was removed under reduced pressure to give 0.4 g of the target product in 87% yield.

References

[1] Patent: CN108658983, 2018, A. Location in patent: Paragraph 0153; 0156; 0163; 0164
[2] Patent: US2010/184766, 2010, A1. Location in patent: Page/Page column 51
[3] Patent: US2010/305122, 2010, A1. Location in patent: Page/Page column 119
[4] Patent: WO2011/150016, 2011, A1. Location in patent: Page/Page column 79
[5] Patent: WO2012/71336, 2012, A1. Location in patent: Page/Page column 10

1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine Preparation Products And Raw materials

Raw materials

Preparation Products

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1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine Suppliers

China 192 India 3 United States 4 Global 199
Changzhou Nuobailang Biomedical Technology Co., Ltd.
Tel
13861006441
Email
780864642@qq.com
Country
China
ProdList
23
Advantage
58
NANJING ZENJI PHARMACEUTICALS
Tel
025-58231105-8151 15190133791;
Email
marketing@zenjipharma.com
Country
China
ProdList
420
Advantage
58
Nanjing Becas pharmatech Ltd.
Tel
13912903754
Email
info@becaspharma.com
Country
China
ProdList
2763
Advantage
58
Nanjing Lebang Pharmaceutical Technology Co., Ltd
Tel
18860950986
Email
tangmanman@lebangpharma.com
Country
China
ProdList
650
Advantage
58
EVERSHINE CHEMICAL CO., LIMITED
Tel
17185714011
Email
3506894070@qq.com
Country
China
ProdList
117
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58
Chengda Pharmaceuticals Co., LTD.
Tel
0573-84601188-809 18367305117;
Email
chl.wen@chengdapharm.com
Country
China
ProdList
175
Advantage
58
Jinan Daen Pharma Tech Co., Ltd.
Tel
0531-15905416-458 15905416458
Email
2479528971@qq.com
Country
China
ProdList
309
Advantage
58
Hangzhou Chemtrue Bio-Tech Co.,Ltd.
Tel
0571-86828652 18857119830
Fax
0571-83522824
Email
sales@chemtrue-bio.com
Country
China
ProdList
252
Advantage
58
Shanghai Boyle Chemical Co., Ltd.
Tel
Fax
86-21-57758967
Email
sales@boylechem.com
Country
China
ProdList
2922
Advantage
55
Adamas Reagent, Ltd.
Tel
400-6009262 16621234537
Fax
021-64823266
Email
chenyj@titansci.com
Country
China
ProdList
14101
Advantage
59
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View Lastest Price from 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine manufacturers

Hangzhou ICH Biofarm Co., Ltd
Product
1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine 1228780-72-0
Price
US $0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
200kg
Release date
2023-06-30
Hebei Mingeng Biotechnology Co., Ltd
Product
Venetoclax Intermediate 1 1228780-72-0
Price
US $150.00/ASSAYS
Min. Order
10g
Purity
>99%
Supply Ability
500kg/month
Release date
2021-12-23
Zhuozhou Wenxi import and Export Co., Ltd
Product
1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine 1228780-72-0
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-06-26

1228780-72-0, 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazineRelated Search:

1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine dihydrochloride 2-[(1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoic acid 1H-Pyrrolo[2,3-b]pyridin-5-ol, 1-[tris(1-methylethyl)silyl]- ABT-199 Methyl 4-Fluoro-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzoate 3-nitro-4-((tetrahydro-2H-pyran-4-yl)MethylaMino)benzenesulfonaMide 4'-chloro-5,5-diMethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carbaldehyde

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