2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl

HCID 2734217CAS 213697-53-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIKey
ZEMZPXWZVTUONV-UHFFFAOYSA-N
Molecular formula
C26H36NP
Average molar mass
393.5 g/mol
Monoisotopic mass
393.25853678

Names & identifiers

Preferred name
2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl
IUPAC
2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
English name
2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl
Molecular formula
C26H36NP
Molecular weight
393.54

Names & synonyms

2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl2'-(dicyclohexylphosphino)-N,N-dimethyl[1,1'-biphenyl]-2-amine2'-(Dicyclohexylphosphino)-N,N-dimethyl(1,1'-biphenyl)-2-amineRefChem:460558606-749-5213697-53-12-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenylDavePhos2'-(DICYCLOHEXYLPHOSPHINO)-N,N-DIMETHYL-[1,1'-BIPHENYL]-2-AMINEMFCD021835722-dicyclohexylphosphino-2'-(dimethylamino)biphenyl2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
Show more names
N-[2'-(dicyclohexylphosphino)-1,1'-biphenyl-2-yl]-N,N-diMethylaMine2-(N,N-Dimethylamino)-2-(dicyclohexylphosphino)biphenylDavePhos 2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenylDavep2-(Dicycloh98% DavePhos
C26H36NP2'-(dicyclohexylphosphanyl)-N,N-dimethyl-[1,1'-biphenyl]-2-amine2'-(dicyclohexylphosphino)-n,n-dimethylbiphenyl-2-amineUNII-9877ONU78FDavephos phosphine ligand [MI]DTXSID203701719877ONU78F2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethyl-aniline

Database identifiers

CAS
213697-53-1
PubChem CID
2734217
DTXSID
DTXSID20370171
UNII
9877ONU78F
EC Number
606-749-5
Nikkaji
J1.009.873D、J3.446.379D

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
28

Physicochemical properties

Melting point
121 · 121-124 °C(lit.)
Boiling point
539.6 · 539.6±43.0 °C(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
pka
5.04 · 5.04±0.18(Predicted)
form
crystal
color
white

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 87 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
No
hs_code
29310099
risk_code
36/37/38-22
Signal word
Warning

Chemistry & industry

Applications · 4 items

Description2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl is a potent inhibitor of the enzyme bromodomain. Bromodomain has been implicated in cancer and other diseases. It binds to the bromodomain in a covalent manner, blocking the ATP site and inhibiting bromodomain function. This inhibition has been shown to be selective for bromodomains over other domains.

Usessuzuki reaction

UsesEffective ligand in the Pd-catalyzed arylation of ester enolates

Uses2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl can act as ligand used in the palladium-catalyzed Suzuki coupling and amination of unactivated aryl chlorides.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

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Linked notes

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