U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C35H53O2P
Molecular Weight 536.7679
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRETTPHOS

SMILES

COC1=CC=C(OC)C(=C1P(C2CCCCC2)C3CCCCC3)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C

InChI

InChIKey=WDVGNXKCFBOKDF-UHFFFAOYSA-N
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3

HIDE SMILES / InChI

Molecular Formula C35H53O2P
Molecular Weight 536.7679
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:10:52 GMT 2023
Edited
by admin
on Sat Dec 16 00:10:52 GMT 2023
Record UNII
4NJ39STQ41
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRETTPHOS
Common Name English
BRETTPHOS PHOSPHINE LIGAND [MI]
Common Name English
PHOSPHINE, DICYCLOHEXYL(3,6-DIMETHOXY-2',4',6'-TRIS(1-METHYLETHYL)(1,1'-BIPHENYL)-2-YL)-
Systematic Name English
BUCHWALD PHOSPHINE LIGANDS, BRETTPHOS PHOSPHINE LIGAND-
Common Name English
BRETTPHOS PHOSPHINE LIGAND
MI  
Common Name English
Code System Code Type Description
CAS
1070663-78-3
Created by admin on Sat Dec 16 00:10:52 GMT 2023 , Edited by admin on Sat Dec 16 00:10:52 GMT 2023
PRIMARY
FDA UNII
4NJ39STQ41
Created by admin on Sat Dec 16 00:10:52 GMT 2023 , Edited by admin on Sat Dec 16 00:10:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID60648745
Created by admin on Sat Dec 16 00:10:52 GMT 2023 , Edited by admin on Sat Dec 16 00:10:52 GMT 2023
PRIMARY
MERCK INDEX
m2739
Created by admin on Sat Dec 16 00:10:52 GMT 2023 , Edited by admin on Sat Dec 16 00:10:52 GMT 2023
PRIMARY Merck Index
PUBCHEM
25112535
Created by admin on Sat Dec 16 00:10:52 GMT 2023 , Edited by admin on Sat Dec 16 00:10:52 GMT 2023
PRIMARY