(S)-(-)-XylBINAP

(R)-(+)-2,2'-Bis(di(3,5-xylyl)phosphino)-1,1'-binaphthyl

HCID 4189905

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 135139-00-3
標準SMILES: Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c1
InChIKey: MXGXXBYVDMVJAO-UHFFFAOYSA-N
分子式: C52H48P2
平均分子量: 734.9 g/mol
単同位体質量: 734.3231248

名称と識別子

優先名称: (R)-(+)-2,2'-Bis(di(3,5-xylyl)phosphino)-1,1'-binaphthyl
IUPAC: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
現地名: (S)-(-)-XylBINAP
英語名: (S)-(-)-2,2'-Bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl
分子式: C52H48P2
分子量: 734.89

名称と別名

135139-00-3137219-86-4(R)-(+)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL(R)-(+)-2,2'-Bis(di(3,5-xylyl)phosphino)-1,1'-binaphthyl1,1'-Binaphthalene-2,2'-diylbis(bis(3,5-dimethylphenyl)phosphine)1,1'-Binaphthalene-2,2'-diylbis[bis(3,5-dimethylphenyl)phosphine]RefChem:406967681-146-8681-153-6(R)-DM-BINAP145416-77-9(S)-DM-BINAP

名称をさらに表示

(S)-(-)-XylBINAP(S)-(-)-2,2'-ビス[ジ(3,5-キシリル)ホスフィノ]-1,1'-ビナフチル(S)‐(-)‐XYL‐BINAP(S)-(-)-2,2'-ビス[ジ(3,5-キシリル)ホスフィノ]-1,1'-ビナフチル, 98% (S)-(-)-XYLBINAP(aS)-2,2′-ビス[ビス(2,6-ジメチルフェニル)ホスフィノ]-1,1′-ビナフタレンXylbinapRAC-XYLYL-BINAP(S)-3,5-XYLYL-BINAP(S)-(-)-2,2'-bis(di-(3,5-dimethylphenyl)phosphino)-1,1'-binaphthyl(S)-(-)-XyL98% (S)-XylBINAP(S)-(-)-XylBINAP(S)-3,5-Xyl-BINAPRAC-3,5-Xylyl-Binap

(S)-(-)-2,2'-Bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl(R)-2,2'-Bis(di-3,5-xylylphosphino)-1,1'-binaphthyl2,2'-bis(di-3,5-xylylphosphino)-1,1'-binaphthylDM-BINAP[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphaneMFCD01630821(R)-(+)-XYLBINAP(R)-2,2'-Bis(bis(3,5-dimethylphenyl)phosphino)-1,1'-binaphthalene

データベース識別子

CAS: 135139-00-3、137219-86-4、145416-77-9
PubChem CID: 4189905
DTXSID: DTXSID301380044
EC Number: 681-146-8、681-153-6、682-114-6
Nikkaji: J1.535.409G、J2.376.180G、J986.374E

物性

構造計算による物性

XLogP: 14.3
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: 7
重原子数: 54
形式電荷: 0
複雑度: 999

物理化学的性質

融点: 203 · 203-206°C
比旋光度: -172 · -172 º (c=1 in chloroform)
沸点: 825.3 · 825.3±65.0 °C(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
水溶解度: Insoluble in water
外見: 結晶
色: 白色～淡黄色
InChIKey: MXGXXBYVDMVJAO-UHFFFAOYSA-N
SMILES: C1(C2C=CC=CC=2C=CC=1P(C1=CC(=CC(C)=C1)C)C1=CC(=CC(C)=C1)C)C1C2C=CC=CC=2C=CC=1P(C1=CC(=CC(C)=C1)C)C1=CC(=CC(C)=C1)C

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Hazard Classes and Categories · 3 件

Skin Irrit. 2 (100%)

安全データ

wgk: WGK 3
tsca: No
hs_code: 2931.90.6000
risk_code: 36/37/38
safety_code: 26-37
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用Catalyst for:Asymmetric hydrogenation of benzophenoneRegio- and stereoselective preparation of axially chiral arylnaphthalene derivatives via rhodium-catalyzed [2+2+2] cycloaddition of diynes with naphthalenepropynoic acid derivatives in the presence of chiral biaryl bisphosphine ligandsRegiodivergent rhodium-catalyzed [(2+2)+2] carbocyclization of 1,6-enynes with Me propiolatesLigand controlled regioselective and stereoselective desymmetrizing rhodium-catalyzed allylic arylation of meso cyclopentene dicarbonates with arylboronic acids to form regioisomeric arylcyclopentenolsPlatinum(II) complex-catalyzed enantioselective aldol reaction with ketene silyl acetals in DMF at room temperatureStereoselective preparation of chiral N,O-biaryls via Rh-catalyzed [2+2+2] cycloaddition of conjugate ynamides with diynes