Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine
- CAS NO.:67579-81-1
- Empirical Formula: C8H18N2
- Molecular Weight: 142.24
- MDL number: MFCD03001702
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-12 23:00:59
What is Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine?
Description
Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine is a useful research chemical for organic synthesis and other chemical processes.
The Uses of Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine
trans-N,N′-dimethylcyclohexane-1,2-diamine can be used as a ligand in the synthesis of the following products via copper catalyzed C-N coupling reactions:
- vinylsulfoximines obtained from NH sulfoximes and vinyl bromides
- N-arylpyridones obtained via reaction between 2-substituted pyridines and aryl halides
- N-aryl amines obtained via reaction between amines and aryl iodides/aryl bromides
Synthesis
Cyclohexene oxide (1) was reacted with 25–30% aqueous methylamine (1.5 equiv.) in a sealed reactor to form trans-2-(methylamino)cyclohexanol 2 at 80 °C within 5h. Compound 2 was subjected to Mitsunobu reaction at room temperature, followed by adjusting the pH from 2 to 10 to yield 7-methyl-7-azabicyclo[4.1.0]-heptane 3, which was directly subjected to the following reaction without purification. Ring-opening reactions of compound 3 with a methylamine aqueous solution were completed in a sealed reactor at 110 °C after 6h to yield Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine.
Properties of Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine
Melting point: | 4°C |
Boiling point: | 83 °C / 13mmHg |
Density | 0.89 |
refractive index | n20/D1.472(lit.) |
Flash point: | 60℃ |
storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
form | liquid |
pka | 11.04±0.40(Predicted) |
color | colorless to pale yellow |
Sensitive | air sensitive |
InChI | InChI=1/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/s3 |
CAS DataBase Reference | 67579-81-1(CAS DataBase Reference) |
Safety information for Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine
InChIKey | JRHPOFJADXHYBR-HTQZYQBOSA-N |
SMILES | [C@@H]1(NC)CCCC[C@H]1NC |&1:0,7,r| |
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