5451-55-8|4-(tert-Butyl)cyclohexanecarboxylic acid| Ambeed

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Quality Control of [ 5451-55-8 ] Purity: 97% SDS Specification

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Product Details of [ 5451-55-8 ]

CAS No. :	5451-55-8
Formula :	C₁₁H₂₀O₂
M.W :	184.28
SMILES Code :	O=C(C1CCC(C(C)(C)C)CC1)O
MDL No. :	MFCD00042622

Safety of [ 5451-55-8 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 5451-55-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 5451-55-8 ]

[ 5451-55-8 ] Synthesis Path-Downstream 1~41

1
[ 108-05-4 ]
[ 5451-55-8 ]
4-tert-butyl-cyclohexanecarboxylic acid vinyl ester [ No CAS ]

References: [1]Patent: US2671060,1950, .

2
[ 5451-55-8 ]
[ 107-18-6 ]
4-tert-butyl-cyclohexanecarboxylic acid allyl ester [ No CAS ]

References: [1]Patent: US2671060,1950, .

3
[ 5451-55-8 ]
[ 907-04-0 ]

References: [1]Journal of Organic Chemistry,1964,vol. 29,p. 1285 - 1289.

4
[ 5451-55-8 ]
[ 907-04-0 ]

References: [1]Journal of Organic Chemistry,1964,vol. 29,p. 1285 - 1289.

5
[ 5451-55-8 ]
[ 20451-50-7 ]

Yield	Reaction Conditions	Operation in experiment
	With oxalyl dichloride;N,N-dimethyl-formamide; In dichloromethane; at 20℃; for 1h;	To a suspension of <strong>[5451-55-8]4-tert-butyl-cyclohexanecarboxylic acid</strong> (74 mg) in DCM (0.5 M), was added oxalyl chloride (178 1, 10eq) and a few drops of DMF. The reaction mixture was stirred at RT for 1 hour. The solvent was evaporated and the residue was dissolved in DCM (0.5 M). To the solution were added pyridine (129 gl 4eq) and 4- aminopyridine (37.7mg, 1 eq). The reaction mixture was stirred at RT overnight. The solution was washed with aqueous 1M K2CO3. The organic layer was evaporated. The residue was purified by flash chromatography (DCM/MeOH 95/5), yielding a white powder (60% yield).'H NMR (300 MHz, CDC13) : 0.77 ppm (s, 9H); 1. 01 ppm (m, 1H) ; 1.22 ppm (m, 2H); 1.60-1. 80 ppm (m, 4H); 2.18 ppm (m, 2H); 2.67 ppm (m, 1H); 7.65 ppm (d, 2H, J = 6.2 Hz); 8.07 ppm (bs, 1H); 8.38 ppm (m, 2H, J = 6.2 Hz); mp: 150.0- 150. 8C.
	With oxalyl dichloride; N,N-dimethyl-formamide; for 1h;Inert atmosphere;	General procedure: 1 equiv. of the carboxylic acid and 1.5 equiv. of oxalyl chloride were treated with a catalytic amount (3 muL) of DMF and stirred for 1h under nitrogen. Excess oxalyl chloride was then removed by rotary evaporation and the product formation was confirmed by GC-MS. The compound was used without further purification.
	With thionyl chloride; for 3h;Reflux;	A 100 mL round bottom flask was charged with 1.84 g (10 mmol) of compound II and 10 mL of re-evaporated SOCl2, followed by heating under reflux with stirring for 3 hours. The reaction mixture was evaporated under reduced pressure to an excess of SOCl2 and the residue II-C was dissolved in 20 mL of dry methylene chloride,The resulting mixture was stirred under ice-cooling with a solution of 1.87 g (10 mmol) of III and 3.04 g (30 mmol) of triethylamineWas dissolved in 5 mL of dry dichloromethane and the mixture was stirred at room temperature overnight. TLC shows the completion of the reaction.The reaction mixture was poured into ice water, stirred, extracted with 50 mL of 3 dichloromethane, the combined organic phases were combined,Saturated brine, dried over anhydrous sodium sulfate, the solvent was evaporated on a rotary evaporator, and the resulting residue was purified by column chromatography,To give product I as a yellowish white solid.

With thionyl chloride; In dichloromethane; at 0 - 20℃; for 3h;

Preparation of 4-tert-butylcyclohexanecarbonyl chloride; A solution of 4-tert-Butyl-cyclohexanecarboxylic acid (1.5 g, 8.13 mmol) (Chem. Abstr. Reg. No. 5451-55-8) in dry DCM (15 ml_) was cooled to O0C, SOCI2 (1.76 mL, 24.4 mmol) was added. The reaction mixture was allowed to rt, maintained for 3 h and then was concentrated to obtain the crude product (1.65 g). The crude was directly used in the next step without any purification.

References: [1]Journal of Organic Chemistry,1964,vol. 29,p. 1285 - 1289.
[2]Journal of Organic Chemistry,1981,vol. 46,p. 1743 - 1745.
[3]Chemical and Pharmaceutical Bulletin,1987,vol. 35,p. 3276 - 3283.
[4]Patent: WO2005/82367,2005,A1 .Location in patent: Page/Page column 44.
[5]Tetrahedron Letters,2012,vol. 53,p. 5742 - 5744.
[6]Journal of Organic Chemistry,2013,vol. 78,p. 11698 - 11706.
[7]Patent: CN104447624,2016,B .Location in patent: Paragraph 0023-0026.
[8]Patent: WO2008/84300,2008,A1 .Location in patent: Page/Page column 43.

6
[ 186581-53-3 ]
[ 5451-55-8 ]
[ 17177-75-2 ]

References: [1]Canadian Journal of Chemistry,1986,vol. 64,p. 1788 - 1794.

7
[ 186581-53-3 ]
[ 5451-55-8 ]
[ 17177-75-2 ]
[ 17177-76-3 ]

References: [1]Magnetic Resonance in Chemistry,1985,vol. 23,p. 225 - 231.

8
[ 186581-53-3 ]
[ 5451-55-8 ]
[ 17177-76-3 ]

References: [1]Canadian Journal of Chemistry,1986,vol. 64,p. 1788 - 1794.

9
[ 67-56-1 ]
[ 5451-55-8 ]
[ 19091-08-8 ]

Yield	Reaction Conditions	Operation in experiment
95%	With sulfuric acid; for 72h;Reflux;	4-tert-Butylcyclohexanecarboxylic acid (203 g) was dissolved in methanol (630 g), and concentrated sulfuric acid (0.54 g) was added and the mixture was heated under reflux for 72 hours. The reaction solution was cooled to room temperature, 18 g of a 2.5 mass% sodium hydroxide / methanol mixed solution was added, and the solvent was distilled off from the reaction solution under reduced pressure. The obtained crude biological oil was purified by vacuum distillation to obtain 207 g of methyl 4-tert-butylcyclohexanecarboxylate as a colorless liquid (yield: 95%, isomer ratio: 76:24).

References: [1]Synthesis,1995,p. 379 - 381.
[2]Patent: KR101704101,2017,B1 .Location in patent: Paragraph 0200-0203.
[3]Journal of Organic Chemistry,1980,vol. 45,p. 4105 - 4111.

10
[ 64-17-5 ]
[ 5451-55-8 ]
[ 63767-85-1 ]

References: [1]Journal of Organic Chemistry,1980,vol. 45,p. 4105 - 4111.

11
[ 201230-82-2 ]
[ 2228-98-0 ]
[ 5451-55-8 ]
[ 13032-38-7 ]

References: [1]Australian Journal of Chemistry,1982,vol. 35,p. 2053 - 2067.

12
[ 5451-55-8 ]
[ 591-51-5 ]
[ 28112-56-3 ]
[ 18525-42-3 ]

References: [1]Chemische Berichte,1993,vol. 126,p. 1205 - 1216.

13
[ 98-73-7 ]
[ 5451-55-8 ]

References: [1]Journal of Organic Chemistry,1980,vol. 45,p. 4105 - 4111.
[2]Canadian Journal of Chemistry,1986,vol. 64,p. 1788 - 1794.

14
[ 5451-55-8 ]
[ 69225-59-8 ]
[ 169822-48-4 ]

References: [1]Journal of Organic Chemistry,1995,vol. 60,p. 4375 - 4384.

15
[ 1121-30-8 ]
[ 5451-55-8 ]
4-tert-Butyl-cyclohexanecarboxylic acid 2-thioxo-2H-pyridin-1-yl ester [ No CAS ]
4-tert-Butyl-cyclohexanecarboxylic acid 2-thioxo-2H-pyridin-1-yl ester [ No CAS ]

References: [1]Liebigs Annales,1996,p. 2091 - 2097.
[2]Liebigs Annales,1996,p. 2091 - 2097.

16
[ 5451-55-8 ]
[ 5400-88-4 ]

References: [1]European Journal of Organic Chemistry,1998,p. 679 - 682.

17
[ 5451-55-8 ]
[ 13734-34-4 ]
[ 35661-40-6 ]
[ 100-39-0 ]
N¹-[1-(benzylamino-methyl)-2-phenyl-ethyl]-N²-(4-tert-butyl-cyclohexylmethyl)-3-phenyl-propane-1,2-diamine [ No CAS ]

References: [1]Tetrahedron,1999,vol. 55,p. 335 - 344.

18
[ 5451-55-8 ]
[ 13734-34-4 ]
[ 35661-40-6 ]
[ 74-88-4 ]
N²-(4-tert-butyl-cyclohexylmethyl)-N¹-(1-methylaminomethyl-2-phenyl-ethyl)-3-phenyl-propane-1,2-diamine [ No CAS ]

References: [1]Tetrahedron,1999,vol. 55,p. 335 - 344.

19
[ 3587-60-8 ]
[ 5451-55-8 ]
1-benzyloxymethyl-4-tert-butyl-cyclohexanecarboxylic acid [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 195 - 200.

22
[ 5451-55-8 ]
[ 28091-62-5 ]
[ 741291-95-2 ]

References: [1]Organic Letters,2004,vol. 6,p. 2425 - 2428.

23
[ 149692-82-0 ]
[ 5451-55-8 ]
(4-tert-butyl-cyclohexyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-pipeidin-1-yl]-methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3524 - 3528.

24
[ 5451-55-8 ]
[ 407-25-0 ]
1,4-trans-(1-(4-tert-butylcyclohexyl)-2,2,2-trifluoroethanone) [ No CAS ]
1,4-cis-(1-(4-tert-butylcyclohexyl)-2,2,2-trifluoroethanone) [ No CAS ]

References: [1]Tetrahedron Letters,2007,vol. 48,p. 189 - 192.

25
[ 5308-25-8 ]
[ 5451-55-8 ]
C₁₇H₃₂N₂O [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 2838 - 2843.

26
[ 5451-55-8 ]
4-tert-butyl-1-(2-methoxycarbonylamino-phenyl)-cyclohexanecarboxylic acid [ No CAS ]

References: [1]Organic Letters,2004,vol. 6,p. 2425 - 2428.

27
[ 5451-55-8 ]
C₁₉H₂₅NO₃ [ No CAS ]

References: [1]Organic Letters,2004,vol. 6,p. 2425 - 2428.

28
[ 5451-55-8 ]
C₁₉H₂₅NO₃ [ No CAS ]

References: [1]Organic Letters,2004,vol. 6,p. 2425 - 2428.

29
[ 5451-55-8 ]
[ 223677-13-2 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 195 - 200.

30
[ 5451-55-8 ]
4-tert-butyl-1-mercaptomethyl-cyclohexanecarboxylic acid (1-methylcarbamoyl-2-phenyl-ethyl)-amide [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 195 - 200.

31
[ 5451-55-8 ]
methanesulfonic acid 4-tert-butyl-1-(1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-cyclohexylmethyl ester [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 195 - 200.

32
[ 5451-55-8 ]
Thioacetic acid S-[4-tert-butyl-1-((S)-1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-cyclohexylmethyl] ester [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 195 - 200.

33
[ 5451-55-8 ]
1-benzyloxymethyl-4-tert-butyl-cyclohexanecarboxylic acid (1-methylcarbamoyl-2-phenyl-ethyl)-amide [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 195 - 200.

34
[ 5451-55-8 ]
[ 31970-06-6 ]