177906-48-8

177906-48-8 - Names and Identifiers

Name	Trans-N-Boc-1,4-Cyclohexanediamine
Synonyms	N-Boc-transcyclohexanediamine N-Boc-Trans-1,4-Cyclohexanediamine trans-4-(Boc-aMino)cyclohexylaMine Trans-N-Boc-1,4-Cyclohexanediamine 1-N-Boc-Trans-1,4-Cyclohexyldiamine Trans-1-Boc-Amino-1,4-Cyclohexanediamine Trans-1-(N-Boc AMino)-4-AMino cyclohexane Tert-Butyl Trans-4-Aminocyclohexylcarbamate tert-butyl (1r,4r)-4-aminocyclohexylcarbamate trans-Cyclohexane-1,4-diamine, N-BOC protected rel-tert-butyl N-[(1R,4R)-4-aMinocyclohexyl]carbaMate Trans-(4-Amino-Cyclohexyl)-Carbamic Acid Tert-Butyl Ester tert-butyl ((1r,4r)-4-aMinocyclohexyl)carbaMate hydrochloride tert-Butyl (trans-4-aminocyclohex-1-yl)carbamate, trans-1,4-Diaminocyclohexane, N-BOC protected
CAS	177906-48-8
InChI	InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-

177906-48-8 - Physico-chemical Properties

Molecular Formula	C11H22N2O2
Molar Mass	214.3
Density	1.02±0.1 g/cm3(Predicted)
Boling Point	322.1±31.0 °C(Predicted)
Water Solubility	Slightly soluble in water.
pKa	12.44±0.40(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2–8 °C
Refractive Index	1.488
Use	This product is for scientific research only and shall not be used for other purposes.

177906-48-8 - Reference Information

Use

Trans-(4-aminocyclohexyl) tert-butyl carbamate is also called N-Boc-trans-1, 4-cyclohexanediamine. Trans -1, 4-cyclohexanediamine, as a chiral organic amine with symmetrical structure of heterocyclic ring, is widely used in the field of medicine. It is an important pharmaceutical intermediate and plays an important role in chemical linking.

preparation

add (Boc)2O(1.1mL,4.91mmol,1.0 equivalents) to a stirred solution containing (1r,4r)-cyclohexane -1, 4-diamine (1)(2g,17.54mmol,3.6 equivalents) at 0 ℃. The reaction mixture was stirred at room temperature for 16 hours. It was determined by TLC that after the reaction was completed, the volatiles were evaporated, and the residue was diluted with water and extracted with ethyl acetate (2 × 100mL). The combined organic layers were washed with saline solution (50mL), dried with sodium sulfate and concentrated to produce trans-(4-aminocyclohexyl) tert-butyl carbamate (900mg, yield: 86%). TLC system: MeOH/DCM(5:95),Rf value: ~ 0.3 (ninhydrin staining);1H NMR(400MHz,CDCl3)δ4.35(brs,1H),3.39(brs,1H),2.67-2.62(m,1H). 2.00-1.98(m,2H),1.87-1.84(m,2H),1.49-1.46(m,2H),1.44(s,9H),1.18-1.12(m,4H).

Last Update：2024-04-09 21:32:04