tert-Butyl trans-N-(4-hydroxycyclohexyl)-N-methylcarbamate

Name: tert-Butyl trans-N-(4-hydroxycyclohexyl)-N-methylcarbamate
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CAS No. 400899-99-2
Cat. No. CS-0036184
Purity≥96%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl trans-N-(4-hydroxycyclohexyl)-N-methylcarbamate|CS-0036184

Structure of 400899-99-2

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General Information

CAS No. 400899-99-2
Cat. No. CS-0036184
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₃NO₃
Molecular Weight 229.32
Synonym(s) TRANS-(4-HYDROXY-CYCLOHEXYLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
SMILES CC(C)(C)OC(=O)N(C)[C@H]1CC[C@@H](CC1)O

Description

tert-Butyl trans-N-(4-hydroxycyclohexyl)-N-methylcarbamate features a stable trans-cyclohexanol scaffold with a bench-stable carbamate protecting group, enabling selective deprotection under mild acidic conditions. The hydroxyl and methylated nitrogen functionalities support downstream derivatization in complex molecule synthesis.

Application

tert-Butyl trans-N-(4-hydroxycyclohexyl)-N-methylcarbamate serves as a stable, bench-friendly building block for the synthesis of bioactive cyclohexane-containing molecules. The trans-configured hydroxycyclohexyl moiety provides defined stereochemistry, while the tert-butyl carbamate group enables orthogonal protection and facile deprotection under mild acidic conditions. It functions effectively in coupling reactions and is compatible with diverse functional groups, facilitating efficient access to complex scaffolds in medicinal chemistry and process development workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H332-H335
Precautionary Statements : P233-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P362-P405-P501

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Computational Chemistry Data

TPSA 49.77
LogP 2.1568
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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tert-Butyl trans-N-(4-hydroxycyclohexyl)-N-methylcarbamate

CAS No. 400899-99-2

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