728357

N-[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]-N′-[4-(trifluoromethyl)phenyl]squaramide

95%

Manufacturer: Sigma Aldrich

CAS Number: 1211565-08-0

Synonym(S): 3-{[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]amino}-4-{[4-(trifluoromethyl)phenyl]amino}-3-cyclobutene-1,2-dione, Rawal Squaramide Organocatalyst

Select a Size

Pack Size SKU Availability Price
100 MG 728357-100-MG In Stock ₹ 11,398.73
500 MG 728357-500-MG In Stock ₹ 28,080.05

728357 - 100 MG

₹ 11,398.73

In Stock

Quantity

1

Base Price: ₹ 11,398.73

GST (18%): ₹ 2,051.771

Total Price: ₹ 13,450.501

Quality Level

100

Assay

≥94.5% (HPLC)95%

form

powder

optical activity

[α]/D -42.0±2.0°, c = 1 in DMSO

impurities

≤2.0% pyridine

SMILES string

FC(F)(F)c1ccc(NC2=C(N[C@@H]3CCCC[C@H]3N4CCCCC4)C(=O)C2=O)cc1

InChI

1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m1/s1

InChI key

JRSCPJJNZMRAQS-IAGOWNOFSA-N

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Description

  • Application: Catalyst for enantioselective Michael addition[1].
  • Packaging: Bottomless glass bottle. Contents are inside inserted fused cone.

SAFETY INFORMATION

Pictograms

GHS05,GHS07

Signal Word

Danger

Hazard Statements

H315,H318,H335

Precautionary Statements

P280 - P302 + P352 - P305 + P351 + P338 + P310

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Quality Level:
100

Assay:
≥94.5% (HPLC)95%

form:
powder

optical activity:
[α]/D -42.0±2.0°, c = 1 in DMSO

impurities:
≤2.0% pyridine

SMILES string:
FC(F)(F)c1ccc(NC2=C(N[C@@H]3CCCC[C@H]3N4CCCCC4)C(=O)C2=O)cc1

InChI:
1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m1/s1

InChI key:
JRSCPJJNZMRAQS-IAGOWNOFSA-N

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Assay:
≥98.0% (AT)

form:
crystals

optical activity:
__

impurities:
__

SMILES string:
CC(C)[Si](C#C[I]1OC(=O)c2ccccc12)(C(C)C)C(C)C

InChI:
1S/C18H25IO2Si/c1-13(2)22(14(3)4,15(5)6)12-11-19-17-10-8-7-9-16(17)18(20)21-19/h7-10,13-15H,1-6H3

InChI key:
NTHGHMCOPNSZIR-UHFFFAOYSA-N

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Assay:
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SMILES string:
CCN(CC)P1(=NC(C)(C)C)N(C)CCCN1C

InChI:
1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3

InChI key:
VSCBATMPTLKTOV-UHFFFAOYSA-N

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Sigma Aldrich

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1 M in hexane, ≥97% (GC), 97% (GC)...


Quality Level:
100

Assay:
≥97% (GC)97% (GC)

form:
liquid

optical activity:
__

impurities:
≤0.10% water

SMILES string:
CCN(CC)P1(=NC(C)(C)C)N(C)CCCN1C

InChI:
1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3

InChI key:
VSCBATMPTLKTOV-UHFFFAOYSA-N