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CAS No.: | 186204-35-3 |
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Name: | (R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H20O6S2 |
Molecular Weight: | 300.397 |
Synonyms: | (1R,2R)-1,2-Cyclohexanediylbis(methylene) dimethanesulfonate; |
EINECS: | 1308068-626-2 |
Density: | 1.271 g/cm3 |
Boiling Point: | 495.284 °C at 760 mmHg |
Flash Point: | 253.339 °C |
Appearance: | off-white solid |
PSA: | 103.50000 |
LogP: | 2.90680 |
(+)-(1R,2R)-trans-1,2-bis(hydroxymethyl)cyclohexane
methanesulfonyl chloride
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
Conditions | Yield |
---|---|
With triethylamine at 0 - 5℃; Industrial scale; | 92.6% |
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 92% |
With triethylamine In chloroform at 0 - 20℃; for 5h; | 90.8% |
phthalic acid dimethyl ester
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: Raney nickel; methanol / 50 - 60 °C / 73550.8 Torr / Hydrogenation.Behandeln des Reaktionsprodukts mit methanol. Natriummethylat 2: LiAlH4; diethyl ether 3: (1R)-menthyl isocyanate 4: pyridine View Scheme |
(+/-)-trans-2-(hydroxymethyl)cyclohexylmethanol
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: (1R)-menthyl isocyanate 2: pyridine View Scheme |
dimethyl cyclohexane-trans-1,2-dicarboxylate
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: LiAlH4; diethyl ether 2: (1R)-menthyl isocyanate 3: pyridine View Scheme |
(1R,2R)-(-)-trans-cyclohexane-1,2-dicarboxylic acid
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: sulfuric acid / 18 h / 40 °C 2.1: diisobutylaluminium hydride / toluene / 6 h / -5 - 20 °C / Inert atmosphere 2.2: 13 h / -5 - 40 °C 3.1: triethylamine / chloroform / 5 h / 0 - 20 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 65 °C 2.1: triethylamine / dichloromethane / 0.42 h / 25 - 35 °C / Inert atmosphere 2.2: 3 h / -5 - 35 °C View Scheme | |
Multi-step reaction with 4 steps 1: tetrahydrofuran / 1 h / 25 - 30 °C 2: tetrahydrofuran / 45 - 50 °C 3: sodium tetrahydroborate; water / tetrahydrofuran / 1 h 4: triethylamine / dichloromethane View Scheme | |
Multi-step reaction with 3 steps 1: sulfuric acid / 4 h / Reflux 2: sodium tetrahydroborate; methanol / tetrahydrofuran / 3 h / 40 °C / Reflux 3: triethylamine / dichloromethane / 1.5 h / 20 °C View Scheme |
(1R,2R)-1,2-cyclohexanedicarboxylic acid dimethyl ester
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: diisobutylaluminium hydride / toluene / 6 h / -5 - 20 °C / Inert atmosphere 1.2: 13 h / -5 - 40 °C 2.1: triethylamine / chloroform / 5 h / 0 - 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; methanol / tetrahydrofuran / 3 h / 40 °C / Reflux 2: triethylamine / dichloromethane / 1.5 h / 20 °C View Scheme |
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
(3aR,4S,7R,7aS)‑4,7‑methylene‑1H‑isoindole‑1,3(2H)-dione
Conditions | Yield |
---|---|
With potassium carbonate In isopropyl alcohol for 4h; | 99% |
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
2,2'-iminobis[ethanol]
(3aR,7aR)-2,2-bis(2-hydroxyethyl)octahydro-1H-isoindolium mesylate
Conditions | Yield |
---|---|
With sodium carbonate In chlorobenzene Reflux; | 99% |
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
3-(1-piperazinyl)-1,2-benzisothiazole
(3aR,7aR)-4’-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1’-piperazin]-2-ium methanesulfonate
Conditions | Yield |
---|---|
With calcium hydroxide In isopropyl alcohol for 20h; Reflux; Industrial scale; | 97.3% |
With potassium carbonate In water; acetonitrile at 82℃; for 3h; Temperature; Concentration; Solvent; | 91% |
With sodium carbonate In acetonitrile at 80 - 85℃; for 24h; | 89.5% |
(1R,2R)-(-)-trans-cyclohexane-1,2-diylbis(methylene)dimethanesulfonate
(3aR,7aR)-4’-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1’-piperazin]-2-ium methanesulfonate
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 80℃; Temperature; | 92.4% |
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The (R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane, with the CAS registry number 186204-35-3, is also known as (1R-trans)-1,2-Cyclohexanedimethanol dimethanesulfonate. It belongs to the product category of Sulfur & Selenium Compounds. This chemical's molecular formula is C10H20O6S2 and molecular weight is 300.39. What's more, its systematic name is called (1R,2R)-1,2-Cyclohexanediylbis(methylene) dimethanesulfonate.
Physical properties about (R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.35; (6)ACD/BCF (pH 7.4): 2.35; (7)ACD/KOC (pH 5.5): 64.11; (8)ACD/KOC (pH 7.4): 64.11; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 103.5 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 67.38 cm3; (15)Molar Volume: 236.387 cm3; (16)Surface Tension: 45.57 dyne/cm; (17)Density: 1.271 g/cm3; (18)Flash Point: 253.339 °C; (19)Enthalpy of Vaporization: 73.385 kJ/mol; (20)Boiling Point: 495.284 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C)C
(2) InChI: InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
(3) InChIKey: JIHKCHWEXXZTOU-UWVGGRQHSA-N