NSC 30931

NSC 30931 - Names and Identifiers

Name	5-benzyloxyindole-2-carboxylic acid*ethyl ester C
Synonyms	NSC 30931 5-BENZYLOXY-2-CARBETHOXYINDOLE 5-BENZYLOXYINDOLE ETHYL-2-CARBOXYLATE Ethyl 5-(benzyloxy)indole-2-carboxylate 5-(Benzyloxy)-2-(ethoxycarbonyl)-1H-indole ETHYL 5-(BENZYLOXY)-1H-INDOLE-2-CARBOXYLATE Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate 5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID ETHYL ESTER 5-benzyloxyindole-2-carboxylic acid*ethyl ester C 5-(PHENYLMETHOXY)-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER 5-(Phenylmethoxy)-1H-Indole-2-Carboxylic Acid Ethyl Ester
CAS	37033-95-7
EINECS	253-322-0
InChI	InChI=1/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3
InChIKey	DCIFXYFKVKDOLL-UHFFFAOYSA-N

NSC 30931 - Physico-chemical Properties

Molecular Formula	C18H17NO3
Molar Mass	295.33
Density	1.225±0.06 g/cm3(Predicted)
Melting Point	163 °C
Boling Point	481.4±30.0 °C(Predicted)
Flash Point	244.9°C
Vapor Presure	2E-09mmHg at 25°C
BRN	281129
pKa	14?+-.0.30(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,2-8°C
Refractive Index	1.633
MDL	MFCD00022702

NSC 30931 - Risk and Safety

Hazard Symbols	Xi - Irritant
Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes.
WGK Germany	3
HS Code	29339900
Hazard Class	IRRITANT

NSC 30931 - Reference Information

Introduction

Ethyl 5-benzyloxyindol-2-formate is an organic intermediate that can be made of 5-methoxy-1H-indole-2-carboxylic acid is prepared from a three-step reaction.

preparation

1.1)80ml of sulfuric acid is dissolved in 450mL of ethanol and cooled to 0 ℃;1.2)359mmol(90g)4-benzyloxyphenylhydrazine hydrochloride is added to the mixed solution of 1.1) to form a suspension; 1.3)43.9mL ethyl pyruvate is added to 90mL anhydrous ethanol; 1.4) Add the suspension of step 1.2) to step 1.3), stir by magnetic force for 2h, raise the temperature to 45 ℃, and keep the temperature for 16h;1.5) The solution in step 1.4) is cooled to room temperature, 200mL of ethanol is added, filtered, and the solid is sequentially washed and dried with ethanol, cyclohexane and water to obtain compound 3, namely 5-benzyloxyindol-2-ethyl formate, with a yield of 72%(76.3g).

Last Update：2024-04-09 15:16:50