737000-89-4

737000-89-4 - Names and Identifiers

Name	(1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate
Synonyms	(1S,2S)-(+)-2-BENZYLOXYCYCLOHEXYL ISOTHIOCYANATE (1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate (1R,2R)-(-)-2-Benzyloxycyclohexyl isothiocyanate ({[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy}methyl)benzene Benzene, [[[(1S,2S)-2-isothiocyanatocyclohexyl]oxy]methyl]-
CAS	737000-89-4
InChI	InChI=1S/C14H17NOS/c17-11-15-13-8-4-5-9-14(13)16-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-10H2/t13-,14-/m0/s1

737000-89-4 - Physico-chemical Properties

Molecular Formula	C14H17NOS
Molar Mass	247.36
Density	1,106 g/cm3
Melting Point	33-36℃
Boling Point	374.4±31.0 °C(Predicted)
Storage Condition	2-8℃
Sensitive	Moisture Sensitive
Refractive Index	1.5674
MDL	MFCD05664047

737000-89-4 - Risk and Safety

Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs	2810
Hazard Class	6.1
Packing Group	III

737000-89-4 - Introduction

(1S,2S)-( )-2-Benzyloxycyclohexyl isothiocyanate is an organic compound with the molecular formula C12H15NOS and a molecular weight of 229.32g/mol. Its stereoconfiguration is the (R,R)-isomer, with partial rotation. The following is a description of its nature, use, formulation and safety information:

Nature:
-Appearance: colorless liquid
-Odor: pungent odor
-Density: 1.11g/cm³
-Melting point: no clear melting point
-Boiling Point: 260-265°C
-Solubility: Slightly soluble in water, soluble in organic solvents such as ethanol, chloroform and ether

Use:
- (1S,2S)-( )-2-Benzylloxycyclohexyl isothiocyanate is a biologically active molecule commonly used as a reagent in organic synthesis reactions. It can be used in the synthesis of various organic compounds, such as drugs, the synthesis of natural products, etc.

Preparation Method:
The preparation of (1S,2S)-( )-2-Benzylloxycyclohexyl isothiocyanate is generally carried out by the following steps:
1. (1S,2S)-( )-cyclohexyl -1, 2-diol was first prepared. The commonly used synthesis method is to obtain the asymmetric hydrogenation reaction of cyclohexene catalyzed by chiral catalyst.
2. (1S,2S)-( )-cyclohexan-1, 2-diol is reacted with benzyl alcohol to obtain (1S,2S)-( )-2-benzyloxycyclohexyl alcohol.
3. finally, (1S,2S)-( )-2-benzyloxycyclohexyl alcohol is reacted with methyl isothiocyanate to obtain (1S,2S)-( )-2-Benzyloxycyclohexyl isothiocyanate under the catalysis of base.

Safety Information:
(1S,2S)-( )-2-Benzyloxycyclohexyl isothiocyanate should pay attention to the following safety matters during operation and storage:
-Avoid contact with skin, eyes and respiratory tract. In case of accidental contact, rinse immediately with plenty of flowing water and seek medical help.
-Appropriate personal protective equipment such as lab gloves, goggles and face shields should be provided during operation.
-Avoid contact with strong oxidants to prevent dangerous reactions.
-Storage should be sealed, away from light and away from fire and heat sources, maintain a well-ventilated place.
-in the use of the process in strict accordance with the chemical safety procedures.
This safety information is for reference only. Please read the safety technical instructions provided with the product before use and follow the safety operation rules of the relevant chemical laboratory.

Last Update：2024-04-09 21:00:56