2-(Di-tert-butylphosphino)biphenyl

HCID 2734215CAS 224311-51-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C
InChIKey
CNXMDTWQWLGCPE-UHFFFAOYSA-N
Molecular formula
C20H27P
Average molar mass
298.4 g/mol
Monoisotopic mass
298.18503749

Names & identifiers

Preferred name
2-(Di-tert-butylphosphino)biphenyl
IUPAC
ditert-butyl-(2-phenylphenyl)phosphane
English name
2-(Di-tert-butylphosphino)biphenyl
Molecular formula
C20H27P
Molecular weight
298.4

Names & synonyms

2-(Di-tert-butylphosphino)biphenyl224311-51-7Johnphos phosphine ligand [MI]UNII-5Y743P380Hdi(tert-butyl)(1,1'-biphenyl-2-yl)phosphine5Y743P380H(1,1'-Biphenyl)-2-ylbis(1,1-dimethylethyl)phosphineBuchwald phosphine ligands, johnphos phosphine ligand-Phosphine, (1,1'-biphenyl)-2-ylbis(1,1-dimethylethyl)-DTXSID50370169PHOSPHINE, [1,1'-BIPHENYL]-2-YLBIS(1,1-DIMETHYLETHYL)-RefChem:84656
Show more names
JnhnPhos2-(Di-tert-butylphosphino)-1,1'-biphenyl98% JohnPhosJohnPhos 97%2-(Di-t-butyL
JOHNPHOS PHOSPHINE LIGANDDTXCID80321205607-074-9JohnPhosditert-butyl-(2-phenylphenyl)phosphane(2-Biphenyl)di-tert-butylphosphineBIPHENYL-2-YL-DI-TERT-BUTYL-PHOSPHANE2-(DI-T-BUTYLPHOSPHINO)BIPHENYL

Database identifiers

CAS
224311-51-7
PubChem CID
2734215
DTXSID
DTXSID50370169
UNII
5Y743P380H
EC Number
607-074-9
Nikkaji
J1.124.970A、J3.246.742C、J3.255.696E

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
21

Physicochemical properties

Melting point
86 · 86-88 °C (lit.)
Boiling point
405.5 · 405.5±24.0 °C(Predicted)
Density
1 g/cm3 · 1 g/cm3
storage temp.
Inert atmosphere,Room Temperature
solubility
Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly, Heated, Sonicated)
form
Crystals or Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 CategoriesAcute Tox. 4 (10.6%)

Safety data

F
10-23
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
No
hs_code
29029090
risk_code
36/37/38-22

Chemistry & industry

Applications · 3 items

Usessuzuki reaction

Uses2-(Di-tert-butylphosphino)biphenyl (also known as JohnPhos) is a Buchwald ligand that is highly efficient in palladium-catalyzed reactions.

General DescriptionJohnPhos is a Buchwald′s sterically bulky biaryl phosphine ligand. It is a reactive dialkylbiaryl phosphine ligand which catalyzes the carbon-nitrogen bond-forming reactions. Coordination chemistry of gold catalysts bearing JohnPhos as ligand has been investigated by NMR spectroscopy.

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

1,507 records
New reaction record

Linked notes

Loading…