2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

RUPHOS · dicyclohexyl(2',6'-diisopropoxy-[1,1'-biphenyl]-2-yl)phosphane · 2-DICYCLOHEXYLPHOSPHINO-2',6'-DI-I-PROPOXY-1,1'-BIPHENYL · Dicyclohexyl(2',6'-diisopropoxy-[1,1'-biphenyl]-2-yl)phosphine · 98% RuPhos · 2-Dicy · dicyclohexyl(2',6'-diisopropoxybiphenyl-2-yl)phosphine · 2-Dicyclohexylphosphino-2',6'-di-i-propoxy-1,1'-bipheny

https://huagongshe.com/en/chemical/16217985

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl molecular structure

Identifiers & Physical Properties

CAS No.	787618-22-8
Molecular formula	C30H43O2P
Average molar mass	466.6 g/mol
Monoisotopic mass	466.30006761 g/mol
SMILES	CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIKey	MXFYYFVVIIWKFE-UHFFFAOYSA-N
PubChem CID	16217985
EC No.	616-653-5
DTXSID	DTXSID10584700

Chemical & Physical Properties

XLogP	8.3
Topological polar surface area	18.5
Hydrogen bond donors	0
Hydrogen bond acceptors	2
Rotatable bonds	8
Heavy atoms	33
Formal charge	0
Complexity	515
Melting point	123-124°C
Boiling point	551.7±40.0 °C(Predicted)
Storage conditions	Keep in dark place,Sealed in dry,Room Temperature
Solubility	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Physical state	Powder
Color	white
Sensitivity	Air Sensitive
InChI	InChI=1S/C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3
InChIKey	MXFYYFVVIIWKFE-UHFFFAOYSA-N
SMILES	P(C1=CC=CC=C1C1=C(OC(C)C)C=CC=C1OC(C)C)(C1CCCCC1)C1CCCCC1
FDA UNII	X3474RY19E
UNSPSC Code	12352112
NACRES	NA.22
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302-H312-H332-H413
GHS precautionary statements	P280
Hazard symbols	Xn
Risk statements (R)	36/37/38-20/21/22
Safety statements (S)	26-36/37/39
Water hazard class (WGK)	3
TSCA inventory status	No
Customs code	29310099
Storage class	13 - Non Combustible Solids

Safety & Regulations

GHS classification	WarningH302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (90.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (13.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (90.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (11.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H413 (86.8%): 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 53 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 Classes and Categories	Acute Tox. 4 (90.6%)Skin Irrit. 2 (13.2%)Eye Irrit. 2A (13.2%)STOT SE 3 (11.3%)Aquatic Chronic 4 (86.8%)
Water hazard class (WGK)	3
TSCA inventory status	No
Customs code	29310099
Risk statements (R)	36/37/38-20/21/22
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xn
Safety statements (S)	26-36/37/39
Storage class	13 - Non Combustible Solids
GHS hazard statements	H302-H312-H332-H413
GHS precautionary statements	P280

Applications & Uses

Uses

Bulky phosphine ligand used in a palladium-catalyzed cross-coupling of aminoethyltrifluoroborates with electron-poor aryl bromides.

Uses

suzuki reaction

Uses

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl is the ligand used for the palladium-catalyzed coupling of alkyl boronates.