[ CAS No. 624-29-3 ] {[proInfo.proName]}

Name: 624-29-3|Cis-1,4-dimethylcyclohexane|98%
Brand: Ambeed
SKU: A931376
Rating: 99 (32 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

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Quality Control of [ 624-29-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 624-29-3 ]

SDS Specification

Alternatived Products of [ 624-29-3 ]

Product Details of [ 624-29-3 ]

CAS No. :	624-29-3	MDL No. :	MFCD00064174
Formula :	C₈H₁₆	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QRMPKOFEUHIBNM-UHFFFAOYSA-N
M.W :	112.21	Pubchem ID :	11523
Synonyms :

Calculated chemistry of [ 624-29-3 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	38.46
TPSA :	0.0 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.6 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.47
Log Po/w (XLOGP3) :	4.77
Log Po/w (WLOGP) :	2.83
Log Po/w (MLOGP) :	3.81
Log Po/w (SILICOS-IT) :	2.52
Consensus Log Po/w :	3.28

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.54
Solubility :	0.0323 mg/ml ; 0.000288 mol/l
Class :	Soluble
Log S (Ali) :	-4.5
Solubility :	0.00354 mg/ml ; 0.0000315 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-1.8
Solubility :	1.78 mg/ml ; 0.0158 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.36

Safety of [ 624-29-3 ]

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P261-P301+P310-P331	UN#:	1993
Hazard Statements:	H225-H304-H315-H336	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 624-29-3 ]

* 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 [ 624-29-3 ]

[ 624-29-3 ] Synthesis Path-Downstream 1~72

1
2-ethyl-1-methylcyclopentane [ No CAS ]
[ 638-04-0 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	With aluminium trichloride at 56℃;

Reference： [1]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1944, vol. 53, p. 45,47][Bulletin des Societes Chimiques Belges, 1950, vol. 59, p. 140,152]

2
[ 624-29-3 ]
[ 2207-04-7 ]

Yield	Reaction Conditions	Operation in experiment
	With nickel contacts; hydrogen at 175℃;

Reference： [1]Schuetz; Caswell [Journal of Organic Chemistry, 1962, vol. 27, p. 486,488] Zelinsky; Margolis [Chemische Berichte, 1932, vol. 65, p. 1613,1617][Zhurnal Obshchei Khimii, 1932, vol. 2, p. 755,760]

3
[ 624-29-3 ]
[ 60482-90-8 ]

Yield	Reaction Conditions	Operation in experiment
	With oxygen at 95℃;

Reference： [1]Criegee; Ludwig [Erdoel und Kohle, 1962, vol. 15, p. 523,528] Ludwig,P. [Diss. <Karlsruhe 1959> S. 95]

4
[ 106-42-3 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
1: 53% 2: 26%	With hydrogen; tetra(n-butyl)ammonium hydrogensulfate In water at 36℃; for 62h;
	With acetic acid; platinum Hydrogenation;
	With ethanol; nickel Hydrogenation;

	With osmium at 50 - 65℃; Hydrogenation;
1: 68 % Chromat. 2: 32 % Chromat.	With hydrogen; Aliquat 336 In water; 1,2-dichloro-ethane at 30℃; for 5h;
	With hydrogen at 119.9℃; further catalysts, hydrogen pressures, catalyst temperatures;
	With hydrogen at 119.9℃; E_a, var. temperature;
1: 30 % Chromat. 2: 70 % Chromat.	With N-hexadecyl-N-(2-hydroxyethyl)-N,N-dimethylammonium bromide; water; hydrogen at 20℃; for 7.1h;
	With N-hexadecyl-N-(2-hydroxyethyl)-N,N-dimethylammonium bromide; water; hydrogen at 20℃; for 7.1h; Title compound not separated from byproducts;
1: 26.5 % Chromat. 2: 69.5 % Chromat.	With hydrogen In water at 110℃; for 0.33h;
	With hydrogen; N-hexadecyl-N,N-dimethyl-N-(2-hydroxyethyl)ammonium chloride In water at 20℃; for 1.2h; Title compound not separated from byproducts;
	With hydrogen In hexane at 22℃; for 1.5h; Title compound not separated from byproducts;
1: 70 % Chromat. 2: 30 % Chromat.	With hydrogen In water at 20℃; for 4h;
	With hydrogen In water at 20℃; optical yield given as %de;
	With ruthenium-carbon composite; hydrogen at 85℃; stereoselective reaction;
	With hydrogen at 20℃; for 6h; Autoclave; Neat (no solvent); optical yield given as %de;
48 % de	With hydrogen In neat (no solvent) at 60℃; for 3.5h; Autoclave; Green chemistry;	Catalyst evaluation General procedure: The hydrogenation reactions were carried out in a 100 mL stainless steel high-pressure batch-type reactor. 20 mmol of the substrates and a certain amount of catalyst samples (1-3 wt%Rh/NZ-CP) were charged into the reactor and the reactor was sealed with 1.0 MPa N2and H2 to remove the air and then, the reactor was then heated up to the desired temperature. After completion of the reaction, the reactor was cooled down to room temperatureand then depressurized. The catalyst was easily isolated from the reaction mixture using centrifuge technique. The composition of reaction mixture was analyzed by GC using an Agilent gas chro-matograph fitted with a FactorFour HP5-MS capillary column. The turnover frequency (TOF) was calculated as the number of molesof reactant consumed per mol of catalyst exposed on surface per hour.
52 % de	With hydrogen In methanol at 20℃; for 4h; Inert atmosphere; Schlenk technique; Overall yield = 100 %Chromat.;
16 % de	With hydrogen In n-heptane at 80℃; for 4h; Autoclave; Overall yield = 100 %Chromat.;
36 % de	With hydrogen In neat (no solvent) at 50℃; for 48h; Overall yield = > 99 %Chromat.;
	With hydrogen In hexane at 300℃; for 0.533333h;

Reference： [1]Bonilla, R. Jason; James, Brian R.; Jessop, Philip G. [Chemical Communications, 2000, # 11, p. 941 - 942]
[2]Miller [Bulletin des Societes Chimiques Belges, 1935, vol. 44, p. 513,518] Schuetz; Caswell [Journal of Organic Chemistry, 1962, vol. 27, p. 486,488] Smith; Pennekamp [Journal of the American Chemical Society, 1945, vol. 67, p. 279] Siegel; Dunkel [1957, vol. 9, p. 15]
[3]Schuetz; Caswell [Journal of Organic Chemistry, 1962, vol. 27, p. 486,488]
[4]Zelinsky; Margolis [Chemische Berichte, 1932, vol. 65, p. 1613,1617][Zhurnal Obshchei Khimii, 1932, vol. 2, p. 755,760]
[5]Blum, Jochanan; Amer, Ibrahim; Zoran, Amikam; Sasson, Yoel [Tetrahedron Letters, 1983, vol. 24, # 38, p. 4139 - 4142]
[6]Aramendia, M. A.; Borau, V.; Jimenez, C.; Marinas, J. M. [Bulletin des Societes Chimiques Belges, 1982, vol. 91, # 9, p. 743 - 750]
[7]Keane, Mark A. [Journal of Catalysis, 1997, vol. 166, # 2, p. 347 - 355]
[8]Schulz, Juergen; Roucoux, Alain; Patin, Henri [Chemical Communications, 1999, # 6, p. 535 - 536]
[9]Schulz, Juergen; Roucoux, Alain; Patin, Henri [Chemistry - A European Journal, 2000, vol. 6, # 4, p. 618 - 624]
[10]Faure, Matthieu; Vallina, Ana Tesouro; Stoeckli-Evans, Helen; Süss-Fink, Georg [Journal of Organometallic Chemistry, 2001, vol. 621, # 1-2, p. 103 - 108]
[11]Mevellec, Vincent; Roucoux, Alain; Ramirez, Esther; Philippot, Karine; Chaudret, Bruno [Advanced Synthesis and Catalysis, 2004, vol. 346, # 1, p. 72 - 76]
[12]Park, In Soo; Kwon, Min Serk; Kim, Namdu; Lee, Jae Sung; Kang, Kyung Yeon; Park, Jaiwook [Chemical Communications, 2005, # 45, p. 5667 - 5669]
[13]Roucoux, Alain; Schulz, Jürgen; Patin, Henri [Advanced Synthesis and Catalysis, 2003, vol. 345, # 1-2, p. 222 - 229]
[14]Location in patent: experimental part Hubert, Claudie; Denicourt-Nowicki, Audrey; Guegan, Jean-Paul; Roucoux, Alain [Dalton Transactions, 2009, # 36, p. 7356 - 7358]
[15]Location in patent: experimental part Wyrwalski; Léger; Lancelot; Roucoux; Monflier; Ponchel [Applied Catalysis A: General, 2011, vol. 391, # 1-2, p. 334 - 341]
[16]Location in patent: experimental part Pélisson, Carl-Hugo; Vono, Lucas L.R.; Hubert, Claudie; Denicourt-Nowicki, Audrey; Rossi, Liane M.; Roucoux, Alain [Catalysis Today, 2012, vol. 183, # 1, p. 124 - 129]
[17]Baghbanian, Seyed Meysam; Farhang, Maryam; Vahdat, Seyed Mohammad; Tajbakhsh, Mahmood [Journal of Molecular Catalysis A: Chemical, 2015, vol. 407, p. 128 - 136]
[18]Moreno-Marrodan, Carmen; Liguori, Francesca; Mercadé, Elisabet; Godard, Cyril; Claver, Carmen; Barbaro, Pierluigi [Catalysis science and technology, 2015, vol. 5, # 7, p. 3762 - 3772]
[19]Llop Castelbou; Szeto; Barakat; Merle; Godard; Taoufik; Claver [Chemical Communications, 2017, vol. 53, # 22, p. 3261 - 3264]
[20]Miyamura, Hiroyuki; Suzuki, Aya; Yasukawa, Tomohiro; Kobayashi, Shu [Journal of the American Chemical Society, 2018, vol. 140, # 36, p. 11325 - 11334]
[21]Bhattacharya, Saurav; Bons, Anton-Jan; Cadot, Emmanuel; Espenship, Michael Forrester; Haouas, Mohamed; Jaensch, Helge; Kortz, Ulrich; Laskin, Julia; Ma, Xiang; Mougharbel, Ali S.; Stuerzer, Tobias; Su, Pei; Taffa, Dereje H.; Wark, Michael [Inorganic Chemistry, 2021, vol. 60, # 22, p. 17339 - 17347]

5
[ 59356-67-1 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	With platinum Hydrogenation;

Reference： [1]Hueckel; Feltkamp [Chemische Berichte, 1959, vol. 92, p. 2851,2854]

6
[ 1073-15-0 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	With tri-n-butyl-tin hydride In benzene at 60℃; for 1h; Irradiation; other hydrides;
	With (C₄H₉)SnH In benzene at 60℃; for 1h; Irradiation; Title compound not separated from byproducts;

Reference： [1]Dneprovskii, A. S.; Pertsikov, B. Z.; Chertkov, V. A. [Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, # 2, p. 291 - 294][Zhurnal Organicheskoi Khimii, 1987, vol. 23, # 2, p. 327 - 331]
[2]Dneprovskii, A. S.; Pertsikov, B. Z.; Chertkov, V. A. [Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, # 2, p. 291 - 294][Zhurnal Organicheskoi Khimii, 1987, vol. 23, # 2, p. 327 - 331]

7
[ 4952-03-8 ]
[ 624-29-3 ]
[ 110-43-0 ]
[ 590-67-0 ]
[ 16980-60-2 ]
[ 16980-61-3 ]

Yield	Reaction Conditions	Operation in experiment
	With boric acid tributyl ester at 125 - 150℃; other reagent: CoSt₂;

8
[ 4952-03-8 ]
[ 624-29-3 ]
[ 16980-60-2 ]
[ 16980-61-3 ]

Yield	Reaction Conditions	Operation in experiment
	at 125℃; different catalysts;

Reference： [1]Lauterbach, Gerlinde; Pritzkow, W.; Tien, Tieu Dung; Voerckel, V. [Journal fur praktische Chemie (Leipzig 1954), 1988, vol. 330, # 6, p. 933 - 946]

9
[ 624-29-3 ]
[ 766-07-4 ]
[ 16980-60-2 ]
[ 16980-61-3 ]
[ 108-94-1 ]
[ 108-93-0 ]

Yield	Reaction Conditions	Operation in experiment
	With boric acid tributyl ester at 125℃; other reagent: CoSt₂;
	at 125℃; for 80h; reaction with different catalysts, different reaction times;

Reference： [1]Kunzelmann, Astrid; Lauterbach, Gerlinde; Potekhin, Vyacheslav Matveevich; Pritzkow, Wilhelm; Schmidt-Renner, Wolfgang; Vasina, Larisa Fedorovna [Journal fur praktische Chemie (Leipzig 1954), 1986, vol. 328, # 5/6, p. 772 - 776]
[2]Lauterbach, Gerlinde; Pritzkow, W.; Tien, Tieu Dung; Voerckel, V. [Journal fur praktische Chemie (Leipzig 1954), 1988, vol. 330, # 6, p. 933 - 946]

10
[ 624-29-3 ]
[ 582-61-6 ]
[ 55-21-0 ]
[ 103-71-9 ]
[ 80945-03-5 ]

Yield	Reaction Conditions	Operation in experiment
1: 46 % Chromat. 2: 6.9 % Chromat. 3: 8 % Chromat.	In dichloromethane at 0℃; Irradiation;

Reference： [1]Inagaki, Masao; Shingaki, Tadao; Nagai, Toshikazu [Chemistry Letters, 1981, p. 1419 - 1422]

11
[ 624-29-3 ]
[ 2207-04-7 ]
[ 119786-51-5 ]

Yield	Reaction Conditions	Operation in experiment
	With mercury at 55℃; for 3h; Irradiation; determination of k_dis/k_rec; longer reaction times; isomerization product distribution, estimation of cis/trans ratio in the disproportionation; addition of 1,4-dimethylcyclohexene;

Reference： [1]Brown, Stephen H.; Crabtree, Robert H. [Journal of the American Chemical Society, 1989, vol. 111, # 8, p. 2935 - 2946]

12
[ 624-29-3 ]
[ 16980-60-2 ]

Yield	Reaction Conditions	Operation in experiment
73%	With acetic anhydride; periodic acid; chromoyl diacetate In dichloromethane; acetonitrile at -40 - 0℃; for 2h;
27%	With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; ceric ammonium nitrate In water; <i>tert</i>-butyl alcohol Inert atmosphere;
	With 4-nitroperbenzoic acid In chloroform at 60℃; for 6h; relative rate in competition reaction with methylcyclohexane;

Reference： [1]Lee, Seongmin; Fuchs [Journal of the American Chemical Society, 2002, vol. 124, # 47, p. 13978 - 13979]
[2]Zhou, Meng; Schley, Nathan D.; Crabtree, Robert H. [Journal of the American Chemical Society, 2010, vol. 132, # 36, p. 12550 - 12551]
[3]Schneider, Hans-Joerg; Mueller, Walter [Journal of Organic Chemistry, 1985, vol. 50, # 23, p. 4609 - 4615]

13
[ 2808-80-2 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen In ethanol Ambient temperature;
	With hydrogen In ethanol Ambient temperature;
	With hydrogen In ethanol Ambient temperature; further catalysts;

Reference： [1]Ishiyama, Jun-ichi; Senda, Yasuhisa; Imaizumi, Shin [Journal of the Chemical Society. Perkin transactions II, 1982, p. 71 - 76]
[2]Ishiyama, Jun-ichi; Senda, Yasuhisa; Imaizumi, Shin [Journal of the Chemical Society. Perkin transactions II, 1982, p. 71 - 76]
[3]Ishiyama, Jun-ichi; Senda, Yasuhisa; Imaizumi, Shin [Journal of the Chemical Society. Perkin transactions II, 1982, p. 71 - 76]

14
[ 74498-75-2 ]
[ 4126-78-7 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
1: 24% 2: 4% 3: 72%	With hydrogen

Reference： [1]Hasselmann, Dieter; Loosen, Klaus [Angewandte Chemie, 1980, vol. 92, # 8, p. 651 - 652]

15
[ 624-29-3 ]
[ 582-61-6 ]
[ 55-21-0 ]
[ 80945-03-5 ]

Yield	Reaction Conditions	Operation in experiment
1: 22% 2: 10%	With acetophenone In dichloromethane at 20℃; Irradiation;

Reference： [1]Inagaki, Masao; Shingaki, Tadao; Nagai, Toshikazu [Chemistry Letters, 1982, p. 9 - 12]

16
[ 624-29-3 ]
[ 91306-66-0 ]
[ 91306-65-9 ]

Yield	Reaction Conditions	Operation in experiment
	With tertiary butyl chloride; antimonypentachloride In carbon disulfide at -20℃; for 0.333333h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
	With tertiary butyl chloride; antimonypentachloride In carbon disulfide at -20℃; for 0.333333h; Yield given. Yields of byproduct given;

Reference： [1]Schneider, Hans-Joerg; Philippi, Klaus [Journal of Chemical Research, Miniprint, 1984, # 4, p. 901 - 951]
[2]Schneider, Hans-Joerg; Philippi, Klaus [Journal of Chemical Research, Miniprint, 1984, # 4, p. 901 - 951]

17
[ 106-42-3 ]
[ 34557-54-5 ]
[ 74-84-0 ]
[ 74-98-6 ]
[ 2207-04-7 ]
[ 624-29-3 ]
[ 108-88-3 ]

Yield	Reaction Conditions	Operation in experiment
	With dodecacarbonyl-triangulo-triruthenium; hydrogen; silica gel at 250℃; other aliphatic and aromatic hydrocarbons; other SiO₂-supported catalysts; var. temp.;

Reference： [1]Simpson, A. F.; Whyman, R. [Journal of Organometallic Chemistry, 1981, vol. 213, # 1, p. 157 - 174]

18
[ 624-29-3 ]
[ 52843-77-3 ]
((1S,2S,5R)-2,5-Dimethyl-cyclohexylethynyl)-benzene [ No CAS ]
(1,4-Dimethyl-cyclohexylethynyl)-benzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 2,2'-azobis(isobutyronitrile) for 1.5h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
	at 25℃; for 6h; Irradiation; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference： [1]Gong; Fuchs [Journal of the American Chemical Society, 1996, vol. 118, # 18, p. 4486 - 4487]
[2]Gong; Fuchs [Journal of the American Chemical Society, 1996, vol. 118, # 18, p. 4486 - 4487]

19
[ 2207-04-7 ]
[ 624-29-3 ]
[ 16980-61-3 ]

Yield	Reaction Conditions	Operation in experiment
	With perchloric acid; air; PPFS In acetonitrile at 20℃; for 360h; various substrates under different reaction conditions;

Reference： [1]Kulikova; Levitsky; Shestakov; Shilov [Russian Chemical Bulletin, 1998, vol. 47, # 3, p. 435 - 437]

Yield	Reaction Conditions	Operation in experiment
	cis / trans Isomerisierung;
	cis / trans Isomerisierung; Fig. 3, 4;
	cis-trans-Isomerisierung: Isomerenvert.; Tab. 2;

	E(a) der cis / trans Isomerisierung (Tab. 1);
	Rk. m. S(¹D) aus COS - Photolyse;
	Rk. m. CrO3, 50grad, Eg., wss. H2SO4;
	Ringinversion;
	Ringinversion: ΔH(excit), ΔG(300)(excit), ΔS(excit), E(a);
	Rk. m. 97 percentiger H2SO4 ---> 1r,4t-Dimethyl-cyclohexan;
	Konz. im Gl.gew. mit trans-1,4-Dimethylcyclohexan (570 K; GC);
	Rk.gleichgew. m. trans-1,4-Dimethyl-cyclohexan, 500 K, Pd;
	Rk. mit Methylen, -> 1,1,4-Trimethyl-cyclohexan, trans,trans- u. cis,cis-1,2,4-Trimethyl-cyclohexan, cis-1-Methyl-4-ethyl-cyclohexan;
	Geschw. der Inversion;
	Inversion: ΔH(excit.), ΔS(excit.), ΔG(excit.);
	Rk. mit MeSO2NCl2;
	Rk. mit MeSO2N3;
	Epimerisation an Pd, 60grad: Aktivierungsenergie, Frequenzfaktor;
	Epimerisation an Pd bei 66grad; Pd-Kat. mit versch. Krist.Durchmesser;
	durch <HRh<P(O-i-C3H7)3>2>2 katalysierte H-D-Austausch;
	Radiolyse;
	Autoxidationsgeschw.;
	thermodynam. Daten d. cis-trans-Isomerisierg.;
	Konkurrenzrk. verschiedener binaerer Gemische m. Methylcyclohexan, gegenueber O2 (Autoxidation), 95grad- 110grad : Geschw.keitsverhaeltnis k(I) / k(II);
	Konkurrenzrk. verschiedener binaerer Gemische m. cis-4-tert.-Butyl-1-methyl-cyclohexan gegenueber O2 (Autoxidation), 95-110grad : Geschw.keitsverhaeltnis k(I) / k(II);
	Konkurrenzrk. verschiedener binaerer Gemische m. trans-4-tert.-Butyl-1-methyl-cyclohexan gegenueber O2 (Autoxidation), 95-110grad : Geschw.keitsverhaeltnis k(I) / k(II);
	Konkurrenzrk. verschiedener binaerer Gemische m. trans-1,4-Dimethylcyclohexan gegenueber O2 (Autoxidation), 100grad : Verhaeltnis k(I) / k(II) (Tab. 1);
	Relative Autoxidationsgeschw. zu Methylcyclohexan, ca. 100grad : (Tab. 2);
	In toluene at 150℃; ΔH(excit.), ionisation energy;
	With oxygen at 140℃; other temperatures;
	With [(PhSiO_1.5)₂₂(CoO)₃(NaO_0.5)₆]; [(PhSiO_1,5)₁₀(CoO)₅(NaOH)][DMF]₅[DMSO]₄; nitric acid; 3-chloro-benzenecarboperoxoic acid In acetonitrile at 40℃; for 2h;

Yield	Reaction Conditions	Operation in experiment
	at 40℃;
	at 25℃; Isomerisierung;

22
[ 624-29-3 ]
[ 2207-04-7 ]

Yield	Reaction Conditions	Operation in experiment
	at 175℃;

Reference： [1]Schuetz; Caswell [Journal of Organic Chemistry, 1962, vol. 27, p. 486,488] Margolis [Chemische Berichte, 1936, vol. 69, p. 1710] Zelinsky; Margolis [Chemische Berichte, 1932, vol. 65, p. 1613,1617][Zhurnal Obshchei Khimii, 1932, vol. 2, p. 755,760]

23
[ 624-29-3 ]
[ 2207-04-7 ]

Yield	Reaction Conditions	Operation in experiment
	at 180℃;

Reference： [1]Boelhouwer et al. [Brennstoff-Chemie, 1958, vol. 39, p. 299]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen at 25℃; for 1h; stereoselective reaction;

Yield	Reaction Conditions	Operation in experiment
	With methanol; nickel

26
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	at 180℃;

Reference： [1]Boelhouwer et al. [Brennstoff-Chemie, 1958, vol. 39, p. 299]

Yield	Reaction Conditions	Operation in experiment
	With aluminium trichloride at 56℃;

28
[ 106-42-3 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	Hydrogenation;

Reference： [1]Miller [Bulletin des Societes Chimiques Belges, 1935, vol. 44, p. 513,518]

29
[ 106-42-3 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	Hydrogenation;

Reference： [1]Miller [Bulletin des Societes Chimiques Belges, 1935, vol. 44, p. 513,518]

30
[ 106-42-3 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	Hydrogenation;

Reference： [1]Miller [Bulletin des Societes Chimiques Belges, 1935, vol. 44, p. 513,518]

31
[ 7446-70-0 ]
[ 583-57-3 ]
[ 638-04-0 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	substance of uncertain configuration;

Reference： [1]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1944, vol. 53, p. 45,47][Bulletin des Societes Chimiques Belges, 1950, vol. 59, p. 140,152]

32
[ 7446-70-0 ]
[ 624-29-3 ]
[ 590-66-9 ]
[ 638-04-0 ]
[ 2207-04-7 ]
[ 6876-23-9 ]

Yield	Reaction Conditions	Operation in experiment
	at 100℃;

Reference： [1]Chiurdoglu et al. [Bulletin des Societes Chimiques Belges, 1950, vol. 59, p. 140]

33
[ 7446-70-0 ]
[ 624-29-3 ]
[ 2207-03-6 ]

Yield	Reaction Conditions	Operation in experiment
	at 100℃;

Reference： [1]Chiurdoglu et al. [Bulletin des Societes Chimiques Belges, 1950, vol. 59, p. 140]

34
[ 106-42-3 ]
[ 2207-04-7 ]
[ 624-29-3 ]
[ 82166-21-0 ]

Yield	Reaction Conditions	Operation in experiment
	Hydrogenation;

Reference： [1]Miller [Bulletin des Societes Chimiques Belges, 1935, vol. 44, p. 513,518]

35
[ 624-29-3 ]
[ 7664-41-7 ]
[ 623-26-7 ]
[ 104-85-8 ]

Yield	Reaction Conditions	Operation in experiment
	at 380℃;

Reference： [1]Kagarlizkii; Suworow [1958, vol. 2, p. 112][Chem.Abstr., 1959, p. 284]

36
[ 583-57-3 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	With aluminium trichloride at 56℃;

Reference： [1]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1944, vol. 53, p. 45,47][Bulletin des Societes Chimiques Belges, 1950, vol. 59, p. 140,152]

37
[ 60-29-7 ]
[ 16980-60-2 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	Hydrogenolyse;

Reference： [1]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1941, vol. 50, p. 31,41, 43, 44][Bulletin des Societes Chimiques Belges, 1938, vol. 47, p. 241,245, 249]

38
[ 16980-61-3 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	Hydrogenolyse;

Reference： [1]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1941, vol. 50, p. 31,41, 43, 44][Bulletin des Societes Chimiques Belges, 1938, vol. 47, p. 241,245, 249]

39
[ 60-29-7 ]
[ 16980-61-3 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	Hydrogenolyse;

Reference： [1]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1941, vol. 50, p. 31,41, 43, 44][Bulletin des Societes Chimiques Belges, 1938, vol. 47, p. 241,245, 249]

40
[ 2808-79-9 ]
[ 64-19-7 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	at 20℃; Hydrogenation;

Reference： [1]Siegel; Dunkel [1957, vol. 9, p. 15,18]

41
[ 16980-60-2 ]
[ 64-19-7 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	at 20 - 50℃; Hydrogenolyse;
	Hydrogenolyse;

Reference： [1]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1941, vol. 50, p. 31,41, 43, 44][Bulletin des Societes Chimiques Belges, 1938, vol. 47, p. 241,245, 249]
[2]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1941, vol. 50, p. 31,41, 43, 44][Bulletin des Societes Chimiques Belges, 1938, vol. 47, p. 241,245, 249]

42
[ 16980-61-3 ]
[ 64-19-7 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	at 20 - 50℃; Hydrogenolyse;
	Hydrogenolyse;

43
[ 2808-80-2 ]
[ 64-19-7 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	at 20℃; Hydrogenation;

Reference： [1]Siegel; Dunkel [1957, vol. 9, p. 15,18]

44
[ 7446-70-0 ]
[ 2207-03-6 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	at 56℃;

Reference： [1]Chiurdoglu [Bulletin des Societes Chimiques Belges, 1944, vol. 53, p. 45,47][Bulletin des Societes Chimiques Belges, 1950, vol. 59, p. 140,152]

45
[ 624-29-3 ]
[ 60482-90-8 ]
1,4-dimethyl-cyclohexyl hydroperoxide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dihydrogen peroxide; oxygen; [n-Bu₄N]VO₃ In acetonitrile at 40℃;

Reference： [1]Shul'pin, Georgiy B.; Kozlov, Yuriy N.; Nizova, Galina V.; Suess-Fink, Georg; Stanislas, Sandrine; Kitaygorodskiy, Alex; Kulikova, Vera S. [Journal of the Chemical Society. Perkin Transactions 2 (2001), 2001, # 8, p. 1351 - 1371]

46
[ 91-20-3 ]
[ 624-29-3 ]
2-(2,5-dimethylcyclohexyl)naphthalene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
11 % Chromat.	With gallium(III) trichloride at 70℃;

Reference： [1]Yonehara, Fumi; Kido, Yoshiyuki; Sugimoto, Hiraku; Morita, Satoshi; Yamaguchi, Masahiko [Journal of Organic Chemistry, 2003, vol. 68, # 17, p. 6752 - 6759]

47
[ 624-29-3 ]
[ 16980-60-2 ]
[ 16980-61-3 ]

Yield	Reaction Conditions	Operation in experiment
	With dihydrogen peroxide; oxalic acid; triphenylphosphine In acetonitrile
	With [Co{C₆H₄C(NH₂)=NC(ON=CMe₂)₂}₂](NO₃)₂; 3-chloro-benzenecarboperoxoic acid In acetonitrile at 40℃; for 1h; Overall yield = 9 %;

Reference： [1]Shul'pin, Georgiy B.; Nizova, Galina V.; Kozlov, Yuriy N.; Arutyunov, Vladimir S.; Dos Santos, Ana Cláudia M.; Ferreira, Ana Carolina T.; Mandelli, Dalmo [Journal of Organometallic Chemistry, 2005, vol. 690, # 20 SPEC. ISS., p. 4498 - 4504]
[2]Nesterova, Oksana V.; Kopylovich, Maximilian N.; Nesterov, Dmytro S. [RSC Advances, 2016, vol. 6, # 96, p. 93756 - 93767]

48
[ 624-29-3 ]
[ 69226-51-3 ]
(1,4-dimethyl-cyclohexyl)-sulfamic acid 2,2,2-trichloro-ethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
46%	With bis(tertbutylcarbonyloxy)iodobenzene In benzene at 23℃;

Reference： [1]Fiori, Kristin Williams; Du Bois [Journal of the American Chemical Society, 2007, vol. 129, # 3, p. 562 - 568]

49
[ 624-29-3 ]
[ 56137-58-7 ]

Yield	Reaction Conditions	Operation in experiment
98%	With methyltrifluoromethyldioxirane In dichloromethane at 0℃; for 0.5h;

Reference： [1]D'Accolti, Lucia; Fiorentino, Michele; Fusco, Caterina; Capitelli, Francesco; Curci, Ruggero [Tetrahedron Letters, 2007, vol. 48, # 20, p. 3575 - 3578]

50
[ 931109-52-3 ]
[ 624-29-3 ]
2,2,2-trichloroethyl ((1r,4r)-1,4-dimethylcyclohexyl)carbamate [ No CAS ]
C₁₁H₁₈Cl₃NO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
64%	With potassium carbonate In dichloromethane at 25℃;

Reference： [1]Lebel, Helene; Kim, Huard [Organic Letters, 2007, vol. 9, # 4, p. 639 - 642]

51
[ 95-47-6 ]
[ 106-42-3 ]
[ 2207-01-4 ]
[ 2207-04-7 ]
[ 624-29-3 ]
[ 6876-23-9 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen at 85℃; stereoselective reaction;

Reference： [1]Location in patent: experimental part Wyrwalski; Léger; Lancelot; Roucoux; Monflier; Ponchel [Applied Catalysis A: General, 2011, vol. 391, # 1-2, p. 334 - 341]

52
[ 957188-75-9 ]
[ 624-29-3 ]
C₉H₁₆F₃NO₂S [ No CAS ]
[ 1309688-08-1 ]

Yield	Reaction Conditions	Operation in experiment
	at 20℃; Inert atmosphere; Neat (no solvent); regioselective reaction;

Reference： [1]Location in patent: scheme or table Ochiai, Masahito; Miyamoto, Kazunori; Kaneaki, Takao; Hayashi, Satoko; Nakanishi, Waro [Science, 2011, vol. 332, # 6028, p. 448 - 451]

53
[ 816444-61-8 ]
[ 624-29-3 ]
[ 1396021-98-9 ]

Yield	Reaction Conditions	Operation in experiment
64%	With Rh<SUB>2</SUB>(S-N-(1,8-naphthoyl)alanine)<SUB>4</SUB>; bis(tertbutylcarbonyloxy)iodobenzene In methanol; 1,1,2,2-tetrachloroethane at -78 - -35℃; for 72h; Molecular sieve; Inert atmosphere;

Reference： [1]Lescot, Camille; Darses, Benjamin; Collet, Florence; Retailleau, Pascal; Dauban, Philippe [Journal of Organic Chemistry, 2012, vol. 77, # 17, p. 7232 - 7240]

54
[ 624-29-3 ]
[2,4-bis((2,6-dichloro)phenylimido)pentyl]copper}₂(μ-benzene) [ No CAS ]
C₁₂H₂₅N [ No CAS ]
C₁₂H₂₅N [ No CAS ]
C₁₂H₂₅N [ No CAS ]
C₁₂H₂₅N [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	at 100℃; for 48h; Inert atmosphere; Sealed tube; stereoselective reaction;

Reference： [1]Aguila, Mae Joanne B.; Badiei, Yosra M.; Warren, Timothy H. [Journal of the American Chemical Society, 2013, vol. 135, # 25, p. 9399 - 9406]

55
[ 624-29-3 ]
[ 65245-26-3 ]
[ 1456900-54-1 ]
C₁₂H₁₆F₉NO₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dirhodium tetraacetate In 1,2-dichloro-ethane at 90℃; for 12h; Inert atmosphere; Schlenk technique; Molecular sieve; Overall yield = 71 %; regioselective reaction;

Reference： [1]Suarez, Jose Ramon; Chiara, Jose Luis [Chemical Communications, 2013, vol. 49, # 80, p. 9194 - 9196]

56
[ 106-42-3 ]
[ 2207-04-7 ]
[ 624-29-3 ]
[ 2808-79-9 ]

Yield	Reaction Conditions	Operation in experiment
1: 34 % de 2: 8 %Chromat.	With Rh(allyl)3; C₆₈H₈₈O₆P₂; hydrogen In n-heptane at 80℃; for 16h; Autoclave; Glovebox; stereoselective reaction;

Reference： [1]Castelbou, Jessica Llop; Gual, Aitor; Mercade, Elisabet; Claver, Carmen; Godard, Cyril [Catalysis science and technology, 2013, vol. 3, # 10, p. 2828 - 2833]

57
[ 624-29-3 ]
[ 55-21-0 ]
N-(2,5-dimethylcyclohexyl)benzamide [ No CAS ]
C₁₅H₂₁NO [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With copper(l) iodide; di-tert-butyl peroxide; 4,7-dimethoxy-1,10-phenanthroline In 1,2-dichloro-benzene at 100℃; for 36h; Inert atmosphere;

Reference： [1]Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F. [Journal of the American Chemical Society, 2014, vol. 136, # 6, p. 2555 - 2563]

58
[ 624-29-3 ]
[ 55962-05-5 ]
[ 75-05-8 ]
[ 1621483-71-3 ]
C₁₅H₂₃NO₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
27%	With [CuI(tris[(tetramethylguanidino)-phenyl]amine)][PF₆] for 12h; Inert atmosphere; Molecular sieve;

Reference： [1]Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles [Journal of the American Chemical Society, 2014, vol. 136, # 32, p. 11362 - 11381]

59
[ 624-29-3 ]
[ 55962-05-5 ]
[ 100-47-0 ]
[ 1621483-72-4 ]
C₁₅H₂₃NO₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
32%	With [CuI(tris[(tetramethylguanidino)-phenyl]amine)][PF₆] In acetonitrile for 12h; Inert atmosphere; Molecular sieve;

60
[ 624-29-3 ]
[ 16980-60-2 ]
1,2-cis-2,5-cis-2,5-dimethylcyclohexan-1-ol [ No CAS ]
2,5-dimethylcyclohexan-1-ol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60 % de	With monooxygenase P₄₅₀-BM₃; nicotinamide adenine dinucleotide phosphate Enzymatic reaction; stereoselective reaction;

Reference： [1]Ilie, Adriana; Agudo, Rubén; Roiban, Gheorghe-Doru; Reetz, Manfred T. [Tetrahedron, 2015, vol. 71, # 3, p. 470 - 475]

61
[ 106-42-3 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen at 25℃; for 1h; Glovebox; Sealed tube;
100 %Chromat.	With hydrogen In n-heptane at 80℃; for 4h; Autoclave;

Reference： [1]Stalzer, Madelyn Marie; Nicholas, Christopher P.; Bhattacharyya, Alak; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J. [Angewandte Chemie - International Edition, 2016, vol. 55, # 17, p. 5263 - 5267][Angew. Chem., 2016, vol. 128, # 17, p. 5349 - 5353,5]
[2]Llop Castelbou; Szeto; Barakat; Merle; Godard; Taoufik; Claver [Chemical Communications, 2017, vol. 53, # 22, p. 3261 - 3264]

62
[ 106-42-3 ]
[ 2207-01-4 ]
[ 2207-04-7 ]
[ 624-29-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen In water at 80℃; for 2h; Autoclave;	Technique of Catalytic Experiments General procedure: The catalyst and substrate were placed at thedesired ratio in a steel thermostatically controlledautoclave equipped with a stirrer. In experiments performed in the presence of water, the latter was added ata ratio of 1 mL of water per mL of substrate. The autoclave was sealed, filled with hydrogen to a pressure of10 or 30 atm, and connected to a thermostat. Thereaction was conducted at 85 or 90°C. The autoclavewas then cooled below room temperature andunsealed. The reaction products were analyzed by gasliquid chromatography.

Reference： [1]Karakhanov; Maximov; Zolotukhina; Terenina; Vutolkina [Petroleum Chemistry, 2016, vol. 56, # 6, p. 491 - 502][Neftekhimiya, 2016, vol. 1, # 1, p. 31 - 42,12]

63
[ 624-29-3 ]
[ 122-79-2 ]
((1,4-dimethylcyclohexyl)oxy)benzene [ No CAS ]
((1,4-dimethylcyclohexyl)oxy)benzene [ No CAS ]
((2,5-dimethylcyclohexyl)oxy)benzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl peroxide; C₂₈H₃₃CuN₂O₄ In neat (no solvent) at 90℃; for 24h; Inert atmosphere; Glovebox; Sealed tube; Overall yield = 72 %;

Reference： [1]Salvador, Tolani K.; Arnett, Charles H.; Kundu, Subrata; Sapiezynski, Nicholas G.; Bertke, Jeffery A.; Raghibi Boroujeni, Mahdi; Warren, Timothy H. [Journal of the American Chemical Society, 2016, vol. 138, # 51, p. 16580 - 16583]

64
[ 624-29-3 ]
[ 16980-60-2 ]
[ 56137-58-7 ]

Yield	Reaction Conditions	Operation in experiment
1: 15% 2: 7%	Stage #1: cis-1,4-dimethylcyclohexane With 1,1,1-trifluoro-2-propanone In water; acetonitrile at 20℃; for 1h; Stage #2: With Oxone; sodium hydrogencarbonate In water; acetonitrile for 23h;

Reference： [1]Yang, Bin; Cui, Jian-Fang; Wong, Man Kin [RSC Advances, 2017, vol. 7, # 49, p. 30886 - 30893]

65
[ 624-29-3 ]
[ 27104-73-0 ]
C₁₉H₂₃NO₂ [ No CAS ]
C₁₉H₂₃NO₂ [ No CAS ]

Reference： [1]ACS Catalysis,2018,vol. 8,p. 11847 - 11853

66
[ 624-29-3 ]
[ 582-61-6 ]
C₁₅H₂₁NO [ No CAS ]
N-((1R,2R,5S)-2,5-dimethylcyclohexyl)benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With [IPr₂*NN]Cu(η²-C6H6) In fluorobenzene at 20℃; Inert atmosphere; Glovebox; Sealed tube; Overall yield = 62 %;

Reference： [1]Bakhoda, Abolghasem (Gus); Jiang, Quan; Badiei, Yosra M.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H. [Angewandte Chemie - International Edition, 2019, vol. 58, # 11, p. 3421 - 3425][Angew. Chem., 2019, vol. 58, # 11, p. 3421 - 3425,5]

67
[ 624-29-3 ]
[ 1641528-26-8 ]
C₁₈H₂₂BrCl₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With Rh₂(S-TPPTTL)4 In dichloromethane at 40℃; stereoselective reaction;

Reference： [1]Fu, Jiantao; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L. [Nature, 2018, vol. 564, # 7736, p. 395 - 399]

68
[ 491-35-0 ]
[ 624-29-3 ]
2-(1,4-dimethylcyclohexyl)-4-methylquinoline [ No CAS ]
2-(cis-2,5-dimethylcyclohexyl)-4-methylquinoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1: 34% 2: 26%	With hydrogenchloride; Selectfluor In water; acetone at 20℃; for 16h; Inert atmosphere; Irradiation;

Reference： [1]Zhao, Hong; Jin, Jian [Organic Letters, 2019, vol. 21, # 16, p. 6179 - 6184]

69
[ 623-73-4 ]
[ 624-29-3 ]
C₁₂H₂₂O₂ [ No CAS ]
[ 1520-50-9 ]

Yield	Reaction Conditions	Operation in experiment
1: 45 %Spectr. 2: 33 %Spectr.	With Li[Al(perfluoro-tertbutoxide)4]; [Fe(N,N’-bis(pentafluorophenyl)-o-phenylenediamide)(tetrahydrofuran)]₂ In dichloromethane at 40℃; for 18h; Inert atmosphere; regioselective reaction;

Reference： [1]Rodríguez, Mònica; Font, Gemma; Nadal-Moradell, Joel; Hernán-Gómez, Alberto; Costas, Miquel [Advanced Synthesis and Catalysis, 2020, vol. 362, # 22, p. 5116 - 5123]

70
[ 624-29-3 ]
2,2,2,-trichloroethoxycarbonyl azide [ No CAS ]
2,2,2-trichloroethyl ((1r,4r)-1,4-dimethylcyclohexyl)carbamate [ No CAS ]
2,2,2-trichloroethyl ((1S*,2R*,5S*)-2,5-dimethylcyclohexyl)carbamate [ No CAS ]
2,2,2-trichloroethyl ((1S*,2S*,5R*)-2,5-dimethylcyclohexyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With C₁₉H₂₀ClCoN₂O₃; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In 1,1,2,2-tetrachloroethane at 60℃; for 24h; Inert atmosphere; Overall yield = 68 percent; Overall yield = 20.5 mg; regioselective reaction;

Reference： [1]Lee, Jeonghyo; Jin, Seongho; Kim, Dongwook; Hong, Soon Hyeok; Chang, Sukbok [Journal of the American Chemical Society, 2021, vol. 143, # 13, p. 5191 - 5200]

71
[ 491-35-0 ]
[ 624-29-3 ]
2-((1R,2R,5S)-2,5-dimethylcyclohexyl)-4-methylquinoline [ No CAS ]
2-((1S,2R,5S)-2,5-dimethylcyclohexyl)-4-methylquinoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62.264 % de	With 4-chloro-N-(1-methylethyl)benzenesulfonamide; tetrabutylammonium acetate; caesium carbonate at 20℃; for 7h; Electrolysis; Inert atmosphere; Overall yield = 41 percent;

Reference： [1]Alhumade, Hesham; Gao, Renfei; Huang, Cunlong; Lei, Aiwen; Liu, Yichang; Liu, Zhao; Qi, Xiaotian; Shi, Biyin; Wang, Shengchun [Journal of the American Chemical Society, 2021, vol. 143, # 49, p. 20863 - 20872]

72
[ 624-29-3 ]
cis-1,4-dimethylcyclohexylamine hydrochloride [ No CAS ]
trans-1,4-dimethylcyclohexylamine hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: cis-1,4-dimethylcyclohexane With Benzophenone imine; 1-methoxy-3,3-dimethyl-1,2-benziodoxole In 1,2-dichloro-ethane at 75℃; for 24h; Inert atmosphere; Irradiation; Stage #2: With hydrogenchloride In methanol; water at 45℃; for 24h; Inert atmosphere; Overall yield = 80percent; Overall yield = 0.0261 g;

Reference： [1]Comito, Robert J.; Ghosh, Subrata K.; Hu, Mengnan [Chemistry - A European Journal, 2021, vol. 27, # 70, p. 17601 - 17608]

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 624-29-3 ] {[proInfo.proName]}

Quality Control of [ 624-29-3 ]

Related Doc. of [ 624-29-3 ]

Product Details of [ 624-29-3 ]

Calculated chemistry of [ 624-29-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 624-29-3 ]

Application In Synthesis of [ 624-29-3 ]

[ 624-29-3 ] Synthesis Path-Downstream 1~72

Related Functional Groups of [ 624-29-3 ]

Aliphatic Cyclic Hydrocarbons

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 624-29-3 ]