2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

HCID 16217985CAS 787618-22-8

Basic information

Standard SMILES
CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIKey
MXFYYFVVIIWKFE-UHFFFAOYSA-N
Molecular formula
C30H43O2P
Average molar mass
466.6 g/mol
Monoisotopic mass
466.30006761

Names & identifiers

Preferred name
2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
IUPAC
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
English name
2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
Molecular formula
C30H43O2P
Molecular weight
466.64

Names & synonyms

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenylRefChem:471295616-653-5787618-22-8Dicyclohexyl(2',6'-diisopropoxy-[1,1'-biphenyl]-2-yl)phosphine2-DICYCLOHEXYLPHOSPHINO-2',6'-DIISOPROPOXY-1,1'-BIPHENYL2-Dicyclohexylphosphino-2,6-DI-I-Propoxy-1,1-Biphenyl2-DICYCLOHEXYLPHOSPHINO-2',6'-DI-I-PROPOXY-1,1'-BIPHENYLMFCD06798294Ruphos phosphine ligand [MI]2-(Dicyclohexylphosphino)-2',6'-isopropoxybiphenylC30H43O2P
Show more names
RUPHOS98% RuPhos2-Dicydicyclohexyl(2',6'-diisopropoxybiphenyl-2-yl)phosphine2-Dicyclohexylphosphino-2',6'-di-i-propoxy-1,1'-bipheny
dicyclohexyl-[2-(2,6-diisopropoxyphenyl)phenyl]phosphanedicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphaneX3474RY19EBuchwald phosphine ligands, ruphos phosphine ligand-2-(Dicyclohexylphosphino)-2',6'-di-isopropoxy-1,1'-biphenyldicyclohexyl(2',6'-diisopropoxy-[1,1'-biphenyl]-2-yl)phosphanePhosphine, (2',6'-bis(1-methylethoxy)(1,1'-biphenyl)-2-yl)dicyclohexyl-2-Dicyclohexylphosphino-2,6-diisopropoxybiphenyl

Database identifiers

CAS
787618-22-8
PubChem CID
16217985
DTXSID
DTXSID10584700
UNII
X3474RY19E
EC Number
616-653-5
Nikkaji
J2.226.608J

Properties

Computed structural properties

XLogP
8.3
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
33

Physicochemical properties

Melting point
123 · 123-124°C
Boiling point
551.7 · 551.7±40.0 °C(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form
Powder
color
white

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (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 exposure; Respiratory 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 information

Hazard Classes and CategoriesAcute Tox. 4 (90.6%);Acute Tox. 4 (90.6%);Skin Irrit. 2 (13.2%);Eye Irrit. 2A (13.2%);Acute Tox. 4 (90.6%);STOT SE 3 (11.3%);Aquatic Chronic 4 (86.8%)

Safety data

wgk
3
tsca
No
hs_code
29310099
risk_code
36/37/38-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

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

Usessuzuki reaction

Uses2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl is the ligand used for the palladium-catalyzed coupling of alkyl boronates.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [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]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

715 records

Linked notes

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