CAS 3779-29-1 Diethyl 1,1-cyclobutanedicarboxylate (HCID 77410)

이름 및 식별자

우선 이름: Diethyl 1,1-cyclobutanedicarboxylate
IUPAC: diethyl cyclobutane-1,1-dicarboxylate
영어명: Diethyl 1,1-cyclobutanedicarboxylate
분자식: C10H16O4
분자량: 200.23

이름 및 동의어

3779-29-1Diethyl 1,1-cyclobutanedicarboxylate1,1-Cyclobutanedicarboxylic acid, diethyl esterS7BAH6Z7ANNSC 9017EINECS 223-239-4NSC-90171,1-Cyclobutanedicarboxylic acid, 1,1-diethyl esterAI3-05631DTXSID2063189RefChem:587043DTXCID8039407

이름 더 보기

AKOS BBS-000064591,1-DICARBOETHOXYCYCLOBUTANEDIETHYL 2,2-TRIMETHYLENEMALONATE1,1-Bis(ethoxycarbonyl)cyclobutaneDiethl1,1-cyclobutanedicarboxylateDiethyl 1,1-Cyclobutanedicarboxylate >1,1-decarboxylic acid diethyl cyclobutane

223-239-4Diethyl cyclobutane-1,1-dicarboxylate1,1-diethyl cyclobutane-1,1-dicarboxylateCyclobutane-1,1-dicarboxylic acid diethyl esterMFCD000192611,1-Cyclobutanedicarboxylic acid diethyl esterHMS1577C01AB89710

데이터베이스 식별자

CAS: 3779-29-1
PubChem CID: 77410
DTXSID: DTXSID2063189
UNII: S7BAH6Z7AN
EC Number: 223-239-4
Nikkaji: J150.347B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 14
형식 전하: 0
복잡도: 210

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

끓는 점: 104 · 104-105 °C12 mm Hg(lit.)
밀도: 1.05 g/mL · 1.05 g/mL at 20 °C(lit.)
굴절률: 1.436 · 1.4360
인화점: 89 °C · 89°C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 디클로로메탄, 메탄올,
물리적 상태: 기름
Specific Gravity: 1.05 · 1.05
색상: 무색
수용성: 물에 불용성.
BRN: 2050195 · 2050195
InChI: InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
InChIKey: JPNJEJSZSMXWSV-UHFFFAOYSA-N
SMILES: C1(CCC1)(C(=O)OCC)C(=O)OCC
NIST: 1 · Diethyl 1,1-cyclobutanedicarboxylate(3779-29-1)
EPA: 1 · 1,1-Cyclobutanedicarboxylic acid, diethyl ester (3779-29-1)

화학적 성질

Colourless Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 71.4% (5 of 7) of all reports.

Warning

H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 21-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24432

Hazard Classes and CategoriesSkin Irrit. 2 (28.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 38220090
risk_code: 36/37/38
safety_code: 23-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1,1-Cyclobutanedicarboxylic acid, 1,1-diethyl ester: ACTIVE

응용 분야

용도Diethyl 1,1-cyclobutanedicarboxylate is used as a pharmaceutical intermediate. Used as intermediate in the production of Carboplatin.

제조 방법 · 1건

The preparation of diethyl 1,1-cyclobutanedicarboxylate is as follows:The major product is tetraethy1 1,1,5,5-pentanetetra-carboxylate II with diethyl malonate. To eliminate this side reaction, II was independently prepared by the addition of hydrogen bromide to diethyl allylmalonate (I) and then cyclized to II by treatment with sodium ethylate. The over-all yield from I is about 50%.

상·하류 제품 정보

상류 원료

1,3-디브로모프로판 4-Bromo-1-butene 탄산 칼륨 Tetrabutylammomium bromide N,N-다이메틸폼아마이드 나트륨 에톡시드 디에틸(3-클로로프로필)말로네이트 1,3-프로판디올 디-p-토실에이트 말론산 디에틸

하류 제품

Cyclobutanemethanol (Bromomethyl)cyclobutane 트리메틸렌옥사이드 펜탄-1,1,5,5-테트라카르복실산테트라에틸에스테르 1-(hydroxymethyl)Cyclobutanecarboxylic acid 시클로부탄-1,1-디카르복실산에틸에스테르 디에틸3-브로모프로필말로네이트

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

中节能万润股份有限公司0535-6101880 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

화합물 노트

불러오는 중…

Diethyl 1,1-cyclobutanedicarboxylate

기본 정보