Chem
J-GLOBAL ID:200907063466053033   Nikkaji number:J1.802.528K

N,N-Diethyl-2,2-bis(benzyloxymethyl)-4-[bromodiisopropoxytitanio(IV)methyl]-6-methylindan-5-carboxamide

N,N-ジエチル-2,2-ビス(ベンジルオキシメチル)-4-[ブロモジイソプロポキシチタニオ(IV)メチル]-6-メチルインダン-5-カルボアミド
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: C38H52BrNO5Ti
Molecular formula furigana: C38-H52-BR-N-O5-TI
Molecular weight: 730.607
InChI: InChI=1S/C32H38NO3.2C3H7O.BrH.Ti/c1-5-33(6-2)31(34)30-24(3)17-28-18-32(19-29(28)25(30)4,22-35-20-26-13-9-7-10-14-26)23-36-21-27-15-11-8-12-16-27;2*1-3(2)4;;/h7-17H,4-6,18-23H2,1-3H3;2*3H,1-2H3;1H;/q;2*-1;;+3/p-1
InChI key: GNSRBNGLHDWIPO-UHFFFAOYSA-M
SMILES: CCN(CC)C(=O)c1c(C)cc2CC(COCc3ccccc3)(COCc3ccccc3)Cc2c1C[Ti](Br)(OC(C)C)OC(C)C
Systematic name  (3):
  • N,N-ジエチル-2,2-ビス(ベンジルオキシメチル)-4-[ブロモジイソプロポキシチタニオ(IV)メチル]-6-メチルインダン-5-カルボアミド
  • ({2,2-ビス[(ベンジルオキシ)メチル]-5-(ジエチルカルバモイル)-6-メチル-2,3-ジヒドロ-1H-インデン-4-イル}メチル)(ブロモ)ビス(プロパン-2-イルオキシ)チタン
  • ({2,2-bis[(benzyloxy)methyl]-5-(diethylcarbamoyl)-6-methyl-2,3-dihydro-1H-inden-4-yl}methyl)(bromo)bis(propan-2-yloxy)titanium
Other name (1):
  • N,N-Diethyl-2,2-bis(benzyloxymethyl)-4-[bromodiisopropoxytitanio(IV)methyl]-6-methylindan-5-carboxamide
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