1,2-ビス[(2R,5R)-2,5-ジメチルホスホラノ]ベンゼン

Methyl-duphos, (R,R)-

HCID 2734551

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 147253-67-6
標準SMILES: C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C
InChIKey: AJNZWRKTWQLAJK-KLHDSHLOSA-N
分子式: C18H28P2
平均分子量: 306.4 g/mol
単同位体質量: 306.16662489

名称と識別子

優先名称: Methyl-duphos, (R,R)-
IUPAC: (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane
現地名: 1,2-ビス[(2R,5R)-2,5-ジメチルホスホラノ]ベンゼン
英語名: (-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE
分子式: C18H28P2
分子量: 306.36

名称と別名

147253-67-6(R,R)-Methyl-DUPHOS(R,R)-Me-DUPHOSMethyl-duphos, (R,R)-(R,R)-MeduphosMethyl-duphos, (-)-(2R,5R)-Me-duphos(R,R)-Me-duphos [MI](-)-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzeneUNII-H5W03D1HAQH5W03D1HAQ(-)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)benzene

名称をさらに表示

1,2-ビス[(2R,5R)-2,5-ジメチルホスホラノ]ベンゼン(-)-1,2-ビス((2R,5R)-2,5-ジメチルホスホラノ)ベンゼン(−)-1,2-ビス[(2R,5R)-2,5-ジメチルホスホラノ]ベンゼンan-1-yL()-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzene(-)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)benzen1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene(-)-1,2-bis-((2R,5R)-2,5-Dimethylphospholano)benzene(-) -1,2-bis ((2R, 5R) -2,5-dimethylphosphorus) benzene

(R,R)-1,2-Bis(2,5-dimethylphospholano)benzeneDTXSID20163641Phospholane, 1,1'-(1,2-phenylene)bis(2,5-dimethyl-, (2R,2'R,5R,5'R)-Phospholane, 1,1'-(1,2-phenylene)bis[2,5-dimethyl-, (2R,2'R,5R,5'R)-RefChem:158117DTXCID5086132604-579-61,2-Bis((2R,5R)-2,5-dimethylphospholan-1-yl)benzene

データベース識別子

CAS: 147253-67-6
PubChem CID: 2734551
DTXSID: DTXSID20163641
UNII: H5W03D1HAQ
EC Number: 604-579-6

物性

構造計算による物性

XLogP: 3.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 2
重原子数: 20
形式電荷: 0
複雑度: 277

物理化学的性質

融点: 66 · 66-76 °C
沸点: 415 · 415.0±15.0 °C(Predicted)
比旋光度: -476 ° · -476° (c 1, hexane)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: 結晶
色: 白い
水溶解度: 水に不溶。
BRN: 4810602 · 4810602
InChI: 1S/C18H28P2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKey: AJNZWRKTWQLAJK-KLHDSHLOSA-N
SMILES: C[C@@H]1CC[C@@H](C)P1c2ccccc2P3[C@H](C)CC[C@H]3C
CAS データベース: 147253 · 147253-67-6

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

F: 10-23
wgk: 3
hs_code: 2934999090
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used as highly efficient privileged ligands.