Cas no 913829-90-0 (Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-)

Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)- structure
913829-90-0 structure
Product Name:Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
CAS No:913829-90-0
MF:C43H42NOP
MW:619.773452281952
MDL:MFCD21362522
CID:796615
PubChem ID:11977440
Update Time:2024-10-26

Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)- Chemical and Physical Properties

Names and Identifiers

    • Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
    • (SA,S)-XYL-BN-SIPHOX
    • [(3S)-4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-bis(3,5-dimethylphenyl)phosphane
    • Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenyl
    • (4S)-2-[(1S)-7′-[Bis(3,5-dimethylphenyl)phosphino]-2,2′,3,3′-tetrahydro-1,1′-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)oxazole (ACI)
    • (4S)-4-Benzyl-2-{(1S)-7'-[bis(3,5-dimethylphenyl)phosphanyl]-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl}-4,5-dihydro-1,3-oxazole
    • J10023
    • DTXSID20475079
    • AKOS015950873
    • 913829-90-0
    • MDL： MFCD21362522
    • Inchi： 1S/C43H42NOP/c1-28-20-29(2)23-36(22-28)46(37-24-30(3)21-31(4)25-37)39-15-9-13-34-17-19-43(41(34)39)18-16-33-12-8-14-38(40(33)43)42-44-35(27-45-42)26-32-10-6-5-7-11-32/h5-15,20-25,35H,16-19,26-27H2,1-4H3/t35-,43-/m0/s1
    • InChI Key： HIVLVUWPNHHMAS-NKTCMXKJSA-N
    • SMILES： P(C1C=C(C)C=C(C)C=1)(C1C=C(C)C=C(C)C=1)C1C=CC=C2C=1[C@@]1(CCC3=C1C(C1OC[C@H](CC4C=CC=CC=4)N=1)=CC=C3)CC2

Computed Properties

  • Exact Mass: 619.30040196g/mol
  • Monoisotopic Mass: 619.30040196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 6
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10.5
  • Topological Polar Surface Area: 21.6?2

Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
ChemScence
CS-0061083-25mg
(Sa,S)-Xyl-Bn-SIPHOX
 913829-90-0 ≥97.0%
25mg
 $130.0 2022-04-26
ChemScence
CS-0061083-50mg
(Sa,S)-Xyl-Bn-SIPHOX
 913829-90-0 ≥97.0%
50mg
 $248.0 2022-04-26
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
S906306-50mg
(S)-4-Benzyl-2-((S)-7'-(bis(3,5-dimethylphenyl)phosphino)-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl)-4,5-dihydrooxazole
 913829-90-0 98%
50mg
 ￥1,237.50 2022-09-28
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
S906306-10mg
(S)-4-Benzyl-2-((S)-7'-(bis(3,5-dimethylphenyl)phosphino)-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl)-4,5-dihydrooxazole
 913829-90-0 98%
10mg
 ￥309.60 2022-09-28
A2B Chem LLC
AH94370-10mg
Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
 913829-90-0 98%
10mg
 $90.00 2024-07-18
Aaron
AR00H1SE-10mg
Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
 913829-90-0 98%
10mg
 $97.00 2025-01-24
A2B Chem LLC
AH94370-25mg
Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
 913829-90-0 97%
25mg
 $152.00 2024-07-18
A2B Chem LLC
AH94370-50mg
Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
 913829-90-0 95%
50mg
 $138.00 2024-05-20
Ambeed
A673422-25mg
(S)-4-Benzyl-2-((S)-7'-(bis(3,5-dimethylphenyl)phosphino)-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl)-4,5-dihydrooxazole
 913829-90-0 97%
25mg
 $130.0 2024-05-30
eNovation Chemicals LLC
Y1014892-50mg
Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-
 913829-90-0 95%
50mg
 $320 2025-02-26

Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylamine ,  Methanesulfonyl chloride Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  30 min, 0 °C; 0 °C → rt
Reference
Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure
Zhu, Shou-Fei; et al, Journal of the American Chemical Society, 2006, 128(39), 12886-12891

Production Method 2

Reaction Conditions
1.1 Reagents: Dicyclohexylcarbodiimide ,  1-Hydroxybenzotriazole Solvents: Tetrahydrofuran ;  rt
2.1 Reagents: Triethylamine ,  Methanesulfonyl chloride Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  30 min, 0 °C; 0 °C → rt
Reference
Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure
Zhu, Shou-Fei; et al, Journal of the American Chemical Society, 2006, 128(39), 12886-12891

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ;  100 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, rt
2.1 Reagents: Dicyclohexylcarbodiimide ,  1-Hydroxybenzotriazole Solvents: Tetrahydrofuran ;  rt
3.1 Reagents: Triethylamine ,  Methanesulfonyl chloride Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  30 min, 0 °C; 0 °C → rt
Reference
Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure
Zhu, Shou-Fei; et al, Journal of the American Chemical Society, 2006, 128(39), 12886-12891

Production Method 4

Reaction Conditions
1.1 Reagents: Triethylamine Catalysts: Palladium diacetate ,  1,3-Bis(diphenylphosphino)propane Solvents: Methanol ,  Dimethyl sulfoxide ;  70 °C
2.1 Reagents: Potassium hydroxide Solvents: Methanol ;  100 °C
2.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, rt
3.1 Reagents: Dicyclohexylcarbodiimide ,  1-Hydroxybenzotriazole Solvents: Tetrahydrofuran ;  rt
4.1 Reagents: Triethylamine ,  Methanesulfonyl chloride Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  30 min, 0 °C; 0 °C → rt
Reference
Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure
Zhu, Shou-Fei; et al, Journal of the American Chemical Society, 2006, 128(39), 12886-12891

Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)- Raw materials

Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)- Preparation Products

Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)- Related Literature

913829-90-0 (Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-4-(phenylmethyl)-,(4S)-) Related Products

Recommended suppliers
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD