Chem
J-GLOBAL ID：200907000511678773   Nikkaji number：J981.318G

2-(Diphenylphosphino)benzoic acid (1R,2R)-1-isopropyl-2-methyl-4-(benzylamino)butyl ester

2-(ジフェニルホスフィノ)安息香酸(1R,2R)-1-イソプロピル-2-メチル-4-(ベンジルアミノ)ブチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H38NO2P
Molecular formula furigana： C34-H38-N-O2-P
Molecular weight： 523.657
InChI： InChI=1S/C34H38NO2P/c1-26(2)33(27(3)23-24-35-25-28-15-7-4-8-16-28)37-34(36)31-21-13-14-22-32(31)38(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-22,26-27,33,35H,23-25H2,1-3H3/t27-,33-/m1/s1
InChI key： RAGWSQCTNKXAMG-ZORMNXRFSA-N
SMILES： CC(C)[C@@H](OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)[C@H](C)CCNCc1ccccc1
Systematic name  (3)：
  • 2-(ジフェニルホスフィノ)安息香酸(1R,2R)-1-イソプロピル-2-メチル-4-(ベンジルアミノ)ブチル
  • (3R,4R)-6-(ベンジルアミノ)-2,4-ジメチルヘキサン-3-イル 2-(ジフェニルホスファニル)ベンゾアート
  • (3R,4R)-6-(benzylamino)-2,4-dimethylhexan-3-yl 2-(diphenylphosphanyl)benzoate
Other name (1)：
  • 2-(Diphenylphosphino)benzoic acid (1R,2R)-1-isopropyl-2-methyl-4-(benzylamino)butyl ester
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