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DIETHYL MALONATE (1,3-13C2), also known as Propanedioic-1,3-13C2 Acid Diethyl Ester, is a naturally occurring labeled diethyl ester of malonic acid found in grapes and strawberries. It is a key intermediate in the synthesis of various organic compounds and plays a significant role in the pharmaceutical, flavoring, and fragrance industries.

77386-82-4

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77386-82-4 Usage

Uses

Used in Pharmaceutical Industry:
DIETHYL MALONATE (1,3-13C2) is used as a key intermediate in the preparation of barbiturates, which are central nervous system depressants used for inducing sleep, sedation, or anesthesia.
Used in Flavoring Industry:
DIETHYL MALONATE (1,3-13C2) is used as a precursor in the synthesis of artificial flavorings, enhancing the taste and aroma of various food products.
Used in Vitamin Production:
DIETHYL MALONATE (1,3-13C2) is used as a starting material in the production of vitamin B1 (thiamine) and vitamin B6 (pyridoxine), which are essential for various metabolic processes in the human body.
Used in Perfumery:
DIETHYL MALONATE (1,3-13C2) is used as a component in the creation of perfumes, contributing to the unique scents and fragrances of various products.
Used in Streptothricin Preparation:
DIETHYL MALONATE (1,3-13C2) is used as a precursor in the preparation of streptothricin, an antibiotic used in veterinary medicine to treat bacterial infections.
Used in Labeled Fatty Acids Production:
DIETHYL MALONATE (1,3-13C2) is used in the synthesis of labeled fatty acids, which are important for research purposes, particularly in studying metabolic pathways and the effects of various compounds on lipid metabolism.

Check Digit Verification of cas no

The CAS Registry Mumber 77386-82-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,3,8 and 6 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 77386-82:
(7*7)+(6*7)+(5*3)+(4*8)+(3*6)+(2*8)+(1*2)=174
174 % 10 = 4
So 77386-82-4 is a valid CAS Registry Number.

77386-82-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Diethyl malonate-1,3-13C2

1.2 Other means of identification

Product number -
Other names <1,3-13C2>-Malonsaeurediaethylester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:77386-82-4 SDS

77386-82-4Relevant academic research and scientific papers

Synthesis of an Isotopically Isomeric Mixture of 1,4,6,8-Tetramethyl2>azulene and Its Thermal Reaction with Dimethyl Acetylenedicarboxylate

Fallahpour, Reza-Ali,Hansen, Hans-Juergen

, p. 1419 - 1436 (2007/10/02)

Sodium 2>cyclopentadienide in tetrahydrofuran (THF) has been prepared from the corresponding labelled 2>cyclopentadiene which was synthesized from 13CO2 and (chloromethyl)trimethylsilane (cf.Scheme 10) according to an established procedure.It could be shown that the acetate pyrolysis of cis-cyclopentane-1,2-diyl diacetate (cis-22) at 550 +/- 5 deg under reduced pressure (60 Torr) gives five times as much cyclopentadiene as trans-22.The reaction of sodium 2>cyclopentadienide with 2,4,6-trimethylpyrylium tetrafluoroborate in THF leads to the formation of the statistically expected 2:2:1 mixture of 4,6,8-trimethyl2>-, -2>-, and -2>azulene (20; cf.Scheme 7 and Fig. 1).Formylation and reduction of the 2:2:1 mixture 2>-20 results in the formation of a 1:1:1:1:1 mixture of 1,4,6,8-tetramethyl2>-, -2>-, -2>-, -2>-, and -2>azulene (5; cf.Scheme 8 and Fig. 2).The measured 2J(13C,13C) values of 2>-20 and 2>-5 are listed in Tables 1 and 2.Thermal reaction of the 1:1:1:1:1 mixture 2>-5 with the four-fold amound of dimethyl acetylenedicarboxylate (ADM) at 200 deg in tetralin (cf.Scheme 2) gave 5,6,8,10-tetramethyl-2>heptalene-1,2-dicarboxylate (2>-6a; 22percent), its double-bond-shifted (DBS) isomer 2>-6b (19percent), and the corresponding azulene-1,2-dicarboxylate 7 (18percent).The isotopically isomeric mixture of 2>-6a showed no 1J(13C,13C) at C(5) (cf.Fig. 3).This finding is in agreement with the fact that expected primary tricyclic intermediate 2>-8 exhibits at 200 deg in tetralin only cleavage of the C(1)-C(10) bond and formation of a C(7)-C(10) bond (cf.Schemes 6 and 9), but no cleavage of the C(1)-C(11) bond and formation of a C(7)-C(11)-bond.The limits of detection of the applied method is Y>/= 96percent for the observed process, i.e., 2>-5 + ADM -> 2>-8 -> 2>-9 -> 2>-6a (cf.Scheme 6).

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