Product Name

  • Name

    1,3,3,5,5-pentamethylcyclohexylamine methanesulfonate

  • EINECS
  • CAS No. 457068-92-7
  • Article Data3
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point
  • Formula C12H27NO3S
  • Boiling Point
  • Molecular Weight 265.417
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 457068-92-7 (1,3,3,5,5-pentamethylcyclohexylamine methanesulfonate)
  • Hazard Symbols
  • Synonyms Cyclohexanamine, 1,3,3,5,5-pentamethyl-, methanesulfonate;1,3,3,5,5-Pentamethylcyclohexanamine methanesulfonate;
  • PSA 88.77000
  • LogP 4.22520

Synthetic route

3,5,5-Trimethylcyclohex-2-en-1-one
78-59-1

3,5,5-Trimethylcyclohex-2-en-1-one

Neramexane mesylate
457068-92-7

Neramexane mesylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: copper(l) iodide; lithium chloride / tetrahydrofuran / 1 h / 5 - 15 °C
2.1: tetrahydrofuran / 5 - 15 °C
3.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C
4.1: hydrogenchloride; thiourea / water / 6 h / Reflux
4.2: pH 7
5.1: ethyl acetate / 1 h / 0 - 5 °C
View Scheme
Multi-step reaction with 5 steps
1.1: copper(l) iodide; lithium chloride / tetrahydrofuran / 1 h / 5 - 15 °C
2.1: tetrahydrofuran / 1 h / 5 - 15 °C
3.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C
4.1: hydrogenchloride; thiourea / water / 6 h / Reflux
4.2: pH 7
5.1: ethyl acetate / 1 h / 0 - 5 °C
View Scheme
methanesulfonic acid
75-75-2

methanesulfonic acid

neramexane
219810-59-0

neramexane

Neramexane mesylate
457068-92-7

Neramexane mesylate

Conditions
ConditionsYield
In ethyl acetate at 0 - 5℃; for 1h;
In ethyl acetate at 0 - 5℃; for 1h;
In butanone
3,3,5,5-tetramethylcyclohexanone
14376-79-5

3,3,5,5-tetramethylcyclohexanone

Neramexane mesylate
457068-92-7

Neramexane mesylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: tetrahydrofuran / 5 - 15 °C
2.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C
3.1: hydrogenchloride; thiourea / water / 6 h / Reflux
3.2: pH 7
4.1: ethyl acetate / 1 h / 0 - 5 °C
View Scheme
Multi-step reaction with 4 steps
1.1: tetrahydrofuran / 1 h / 5 - 15 °C
2.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C
3.1: hydrogenchloride; thiourea / water / 6 h / Reflux
3.2: pH 7
4.1: ethyl acetate / 1 h / 0 - 5 °C
View Scheme
1,3,3,5,5-pentamethylcyclohexanol
38490-33-4

1,3,3,5,5-pentamethylcyclohexanol

Neramexane mesylate
457068-92-7

Neramexane mesylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C
2.1: hydrogenchloride; thiourea / water / 6 h / Reflux
2.2: pH 7
3.1: ethyl acetate / 1 h / 0 - 5 °C
View Scheme
N-Chloroacetyl-1,3,3,5,5-pentamethylcyclohexanamine
316364-93-9

N-Chloroacetyl-1,3,3,5,5-pentamethylcyclohexanamine

Neramexane mesylate
457068-92-7

Neramexane mesylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: hydrogenchloride; thiourea / water / 6 h / Reflux
1.2: pH 7
2.1: ethyl acetate / 1 h / 0 - 5 °C
View Scheme
Neramexane mesylate
457068-92-7

Neramexane mesylate

neramexane
219810-59-0

neramexane

Conditions
ConditionsYield
With sodium hydroxide In water at 20℃;100%
Neramexane mesylate
457068-92-7

Neramexane mesylate

neramexane stearate

neramexane stearate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / water / 20 °C
2: dichloromethane / 2 h / 20 °C
View Scheme
Neramexane mesylate
457068-92-7

Neramexane mesylate

neramexane undecylenate

neramexane undecylenate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / water / 20 °C
2: neat (no solvent) / 20 °C / Cooling
View Scheme
Neramexane mesylate
457068-92-7

Neramexane mesylate

neramexane oleate

neramexane oleate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / water / 20 °C
2: neat (no solvent) / 20 °C / Cooling
View Scheme

Neramexane Mesylate Specification

The Neramexane Mesylate, with the CAS registry number 457068-92-7, is also known as 1,3,3,5,5-Pentamethylcyclohexanamine methanesulfonate. This chemical's molecular formula is C12H27NO3S and molecular weight is 265.41268. Its IUPAC name is called methanesulfonic acid; 1,3,3,5,5-pentamethylcyclohexan-1-amine. What's more, this chemical's classification code is Treatment of Depression, Alzheimer's Disease, and Pain.

Physical properties of Neramexane Mesylate: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 0; (4)Exact Mass: 265.171164; (5)MonoIsotopic Mass: 265.171164; (6)Topological Polar Surface Area: 88.8; (7)Heavy Atom Count: 17; (8)Formal Charge: 0; (9)Complexity: 256; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CC(CC(C1)(C)N)(C)C)C.CS(=O)(=O)O
(2)InChI: InChI=1S/C11H23N.CH4O3S/c1-9(2)6-10(3,4)8-11(5,12)7-9;1-5(2,3)4/h6-8,12H2,1-5H3;1H3,(H,2,3,4)
(3)InChIKey: CLUKHUGGXSIGRX-UHFFFAOYSA-N

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