cis-(1S,2R)-(+)-2-Benzamidocyclohexanecarboxylic acid

cis-(1S,2R)-(+)-2-Benzamidocyclohexanecarboxylic acid - Names and Identifiers

Name	(1S,2R)-(+)-cis-2-Benzamidocyclohexanecarboxylic acid
Synonyms	2-(benzoylamino)cyclohexanecarboxylic acid 2-(Benzoylamino)cyclohexanecarboxylic acid (+)-cis-2-Benzamidocyclohexanecarboxylic acid (+)-CIS-2-BENZAMIDOCYCLOHEXANECARBOXYLIC ACID (1S,2R)-2-BENZAMIDO-CYCLOHEXANECARBOXYLIC ACID (1S,2R)-(+)-2-BENZAMIDO-CYCLOHEXANECARBOXYLIC ACID (1S,2R)-2-(benzoylamino)cyclohexanecarboxylic acid (1S,2R)-2-(BENZOYLAMINO)-CYCLOHEXANECARBOXYLIC ACID (1R,2S)-2-(+)-BENZOAMIDO-CYCLOHEXANE CARBOXYLIC ACID (1S-CIS)-2-(BENZOYLAMINO)-CYCLOHEXANECARBOXYLIC ACID cis-(1S,2R)-(+)-2-Benzamidocyclohexanecarboxylic acid CIS-(1S,2R)-(+)-2-BENZAMIDOCYCLOHEXANECARBOXYLIC ACID (1S,2R)-(+)-cis-2-Benzamidocyclohexanecarboxylic acid (1S,2R)-2-[(phenylcarbonyl)amino]cyclohexanecarboxylate
CAS	26685-82-5
InChI	InChI=1/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/p-1/t11-,12+/m0/s1

cis-(1S,2R)-(+)-2-Benzamidocyclohexanecarboxylic acid - Physico-chemical Properties

Molecular Formula	C14H17NO3
Molar Mass	247.29
Density	1.21±0.1 g/cm3(Predicted)
Melting Point	205-209°C(lit.)
Boling Point	506.1±43.0 °C(Predicted)
Flash Point	259.9°C
Vapor Presure	4.59E-11mmHg at 25°C
BRN	4946668
pKa	4.58±0.44(Predicted)
Storage Condition	2-8°C
Refractive Index	36.5 ° (C=0.5, EtOH)
MDL	MFCD00078300

cis-(1S,2R)-(+)-2-Benzamidocyclohexanecarboxylic acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	3
HS Code	29242998

cis-(1S,2R)-(+)-2-Benzamidocyclohexanecarboxylic acid - Introduction

(1S,2R)-(+)-cis-2-Benzamidocyclohexanecarboxylic acid is an organic compound with the chemical formula C14H17NO2. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: White crystal or crystalline powder.
-Melting point: About 131-133 ° C.
-Solubility: Soluble in alcohols, acids and ketones, slightly soluble in water.
-Optical rotation: cis-rotation (D-rotation).
-stereo configuration:(1R,2S)-configuration.

Use:
- (1S,2R)-( )-cis-2-Benzamidocyclohexanecarboxylic acid can be used as chemical intermediates, catalysts and chiral ligands for organic synthesis reactions.
-It is often used in the synthesis of chiral compounds in drug synthesis, such as chiral drugs.

Method:
(1S,2R)-( )-cis-2-Benzamidocyclohexanecarboxylic acid can be synthesized by the following steps:
-Step 1: Synthesis of cis-benzamide cyclohexane carboxylic acid (cis-2-Benzamidocyclohexanecarboxylic acid).
-Step 2: The cis-benzamide cyclohexane carboxylic acid is resolved to prepare a chiral product.

Safety Information:
- (1S,2R)-( )-cis-2-Benzamidocyclohexanecarboxylic acid may be irritating to eyes and skin. Pay attention to protective measures during operation and avoid contact.
-When using or handling, pay attention to good ventilation conditions.
-Keep away from fire and oxidizing agents and store in a dry, clean place.
-Wear appropriate personal protective equipment such as gloves, glasses and lab coats when operating.
-If skin or eye contact occurs, rinse immediately with plenty of water and seek medical help.

Last Update：2024-04-09 15:17:56