2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

HCID 11155794CAS 564483-18-7

Basic information

Standard SMILES
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
InChIKey
UGOMMVLRQDMAQQ-UHFFFAOYSA-N
Molecular formula
C33H49P
Average molar mass
476.7 g/mol
Monoisotopic mass
476.35718856

Names & identifiers

Preferred name
2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
IUPAC
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
English name
X-PHOS
Molecular formula
C33H49P
Molecular weight
476.72

Names & synonyms

564483-18-7X-PhosXphos phosphine ligand [MI]2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylR271FU23T8(2',4',6'-triisopropyl-1,1'-biphenyl-2-yl)dicyclohexylphosphineBuchwald phosphine ligands, xphos phosphine ligand-DTXSID504571262-(DICYCLOHEXYLPHOSPHINO)-2',4',6'-TRI(ISOPROPYL)BIPHENYLPhosphine, dicyclohexyl(2',4',6'-tris(1-methylethyl)(1,1'-biphenyl)-2-yl)-PHOSPHINE, DICYCLOHEXYL[2',4',6'-TRIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2-YL]-RefChem:471294
Show more names
dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphane2-(Dicyclohexylphosphanyl)-2',4',6'-tris(isopropyl)biphenyl5-BROMO-4-CHLORO-3-INDOLYL PHOSPHATE2-Dicyclohexylphosphino-22-Dicyclohexylphosphino-2,4,6-triisopropylbiphenylDicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphineX-PH0Sdicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
XPHOS PHOSPHINE LIGANDDTXCID10407945XPhos2-(Dicyclohexylphosphino)-2',4',6'-triisopropylbiphenyl2-(Dicyclohexylphosphino)-2',4',6'-tri-i-propyl-1,1'-biphenyl2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenylMFCD04117682dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine

Database identifiers

CAS
564483-18-7
PubChem CID
11155794
DTXSID
DTXSID50457126
UNII
R271FU23T8
EC Number
611-387-6
Nikkaji
J1.911.682D、J3.650.095F

Properties

Computed structural properties

XLogP
10.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
7
Heavy atoms
34

Physicochemical properties

Melting point
187 · 187-190 °C(lit.)
Boiling point
569.8 · 569.8±50.0 °C(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
Benzene (Slightly)
form
Powder
color
white

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 35.2% (38 of 108) of reports.

Warning

H302+H312+H332 (21.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (26.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (21.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (59.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (59.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (21.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (58.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (25.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 108 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 38 of 108 reports by companies.;There are 13 notifications provided by 70 of 108 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (26.9%);Acute Tox. 4 (21.3%);Skin Irrit. 2 (59.3%);Eye Irrit. 2 (59.3%);Acute Tox. 4 (21.3%);STOT SE 3 (58.3%);Aquatic Chronic 4 (25.9%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
No
hs_code
29319090
risk_code
36/37/38-22-40
Signal word
Warning

Chemistry & industry

Applications · 3 items

Usessuzuki reaction

UsesExceptional ligands for Pd-catalyzed amination and amidation of aryl sulfonates. XPHOS is used as a regent in the synthesis of novel [1,2,4]triazolo[4,3-a]pyrazine derivatives as potential selective c-met inhibitors with improved pharmacokinetic properties.

General DescriptionThis product has been enhanced for catalytic efficiency.

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]
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]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Related reactions

4,253 records

Linked notes

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