374938
4-tert-Butylcyclohexanecarboxylic acid
99%
Manufacturer: Sigma Aldrich
CAS Number: 5451-55-8
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 5 G | 374938-5-G | In Stock | ₹ 3,453.18 |
374938 - 5 G
In Stock
Quantity
1
Base Price: ₹ 3,453.18
GST (18%): ₹ 621.572
Total Price: ₹ 4,074.752
Quality Level
100
Assay
99%
form
solid
mp
148 °C (lit.)
SMILES string
CC(C)(C)C1CCC(CC1)C(O)=O
InChI
1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChI key
QVQKEGYITJBHRQ-UHFFFAOYSA-N
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 4-(tert-Butyl)cyclohexanecarboxylic acid | Aaron Chemicals LLC | ₹ 684.48 - ₹ 67,934.64 | |
 | 4-(Tert-butyl)cyclohexane-1-carboxylic acid | ChemScene | ₹ 14,031.84 - ₹ 49,967.04 |
Description
- General description: delta pKa between the two stereoisomers of 4-tert-butylcyclohexanecarboxylic acid has been studied using 1H and 13C NMR.[1] Preparation of cis- and trans-4-tert- butylcyclohexanecarboxylic acid has been reported.[2]
- Application: 4-tert-Butylcyclohexanecarboxylic acid may be used in the preparation of N-((S)-3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-henylpropyl)-4-tert-butylcyclohexanecarboxamide.[3]
SAFETY INFORMATION
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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Quality Level: 100
Assay: 99%
form: solid
mp: 148 °C (lit.)
SMILES string: CC(C)(C)C1CCC(CC1)C(O)=O
InChI: 1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChI key: QVQKEGYITJBHRQ-UHFFFAOYSA-N
Quality Level:
100
Assay:
99%
form:
solid
mp:
148 °C (lit.)
SMILES string:
CC(C)(C)C1CCC(CC1)C(O)=O
InChI:
1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChI key:
QVQKEGYITJBHRQ-UHFFFAOYSA-N
Quality Level: __
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form: __
mp: __
SMILES string: __
InChI: __
InChI key: __
Quality Level:
__
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__
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__
mp:
__
SMILES string:
__
InChI:
__
InChI key:
__
Quality Level: __
Assay: 97%
form: solid
mp: 32-33 °C (lit.)
SMILES string: ClCc1ccc(cc1)N=C=O
InChI: 1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
InChI key: OBYMZHLTKVXPQF-UHFFFAOYSA-N
Quality Level:
__
Assay:
97%
form:
solid
mp:
32-33 °C (lit.)
SMILES string:
ClCc1ccc(cc1)N=C=O
InChI:
1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
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OBYMZHLTKVXPQF-UHFFFAOYSA-N
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mp: 144-146 °C (lit.)
SMILES string: O=C=NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
InChI: 1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChI key: VBHCPGFCIQDXGZ-BIBSGERRSA-N
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form:
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SMILES string:
O=C=NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
InChI:
1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChI key:
VBHCPGFCIQDXGZ-BIBSGERRSA-N