Home Products Chemistry And Biochemicals Catalysts 693316
693316

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

97%

Manufacturer: Sigma Aldrich

CAS Number: 959979-30-7

Synonym(S): (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide

Select a Size

Pack Size SKU Availability Price
100 MG 693316-100-MG In Stock ₹ 11,442.03
500 MG 693316-500-MG In Stock ₹ 53,150.75

693316 - 100 MG

₹ 11,442.03

In Stock

Quantity

1

Base Price: ₹ 11,442.03

GST (18%): ₹ 2,059.565

Total Price: ₹ 13,501.595

Quality Level

100

Assay

97%

form

solid

optical activity

[α]20/D -57.0°, c = 1 in chloroform

mp

147-152 °C

SMILES string

CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C

InChI

1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1

InChI key

LTFFYVVCUVYZPE-GOSISDBHSA-N

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Description

  • General description: (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide is a chiral thiourea organocatalyst developed by the Jacobsen′s group for asymmetric organic synthesis.
  • Application: Versatile catalyst for reactions including the Mannich reaction.[1]

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

Hazard Statements

H302 + H312,H315,H319,H335,H413

Precautionary Statements

P261 - P273 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Show Difference

Img

Sigma Aldrich

693316

97%...

Quality Level:
100
Assay:
97%
form:
solid
optical activity:
[α]20/D -57.0°, c = 1 in chloroform
mp:
147-152 °C
SMILES string:
CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C
InChI:
1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1
InChI key:
LTFFYVVCUVYZPE-GOSISDBHSA-N

Img

Supelco

69333

analytical standard...

Quality Level:
100
Assay:
≥97%
form:
__
optical activity:
__
mp:
__
SMILES string:
__
InChI:
__
InChI key:
__

Img

Supelco

69334

analytical standard...

Quality Level:
100
Assay:
≥98.0% (GC)
form:
__
optical activity:
__
mp:
69-74 °C
SMILES string:
CC(C)(COS(C)(=O)=O)COS(C)(=O)=O
InChI:
1S/C7H16O6S2/c1-7(2,5-12-14(3,8)9)6-13-15(4,10)11/h5-6H2,1-4H3
InChI key:
__

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Sigma Aldrich

693456

95%...

Quality Level:
100
Assay:
95%
form:
solid
optical activity:
[α]22/D -28.0°, c = 1 in chloroform
mp:
149-154 °C
SMILES string:
Cc1ccc(cc1)N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4C3=O)OC2=O
InChI:
1S/C17H19NO6/c1-10-4-6-11(7-5-10)18-9-17(24-15(18)20)14(19)13-12(8-21-17)22-16(2,3)23-13/h4-7,12-13H,8-9H2,1-3H3/t12-,13-,17+/m1/s1
InChI key:
WFKGDVVGAWYPFR-XNJGSVPQSA-N