메톡시알렌

1-Methoxypropa-1,2-diene

HCID 139403CAS 13169-00-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C=COC
InChIKey: RRWJXAJEGRDMQH-UHFFFAOYSA-N
분자식: C4H6O
평균 분자량: 70.09 g/mol

이름 및 식별자

우선 이름: 1-Methoxypropa-1,2-diene
IUPAC: 1-methoxypropa-1,2-diene
현지명: 메톡시알렌
영어명: Methoxyallene; 95%discontinued 05/24/01
분자식: C4H6O
분자량: 70.09

이름 및 동의어

1-methoxypropa-1,2-dieneRefChem:433596626-628-0Methoxyallene13169-00-11-Methoxyallene1,2-Propadiene, 1-methoxy-1,2-Propadiene,1-methoxy- (9CI)METHOXYALLENE; 95per centDISCONTINUED 05/24/011-METHOXY-1,2-PROPADIENE1,2-Propadiene, 3-methoxy-methoxyallen

이름 더 보기

메톡시알렌3-MethoxyalleneMethoxypropadiene1-MethoxypropadieneAllenyl methyl etherPropadienylmethyl ether

methoxyallyl1-methoxy-1,2-propanedieneNSC363923NSC 363923CH2=C=CHOCH3Methoxyallene, technical gradeSCHEMBL1992420SCHEMBL28320944

데이터베이스 식별자

CAS: 13169-00-1
PubChem CID: 139403
EC Number: 626-628-0
Nikkaji: J340.838H

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 50.7

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling

물리화학적 성질

끓는 점: 48.2 ℃ · 48.2℃ (760 torr)
밀도: 0.832 g/mL · 0.832 g/mL at 25 °C
굴절률: 20 · n20/D 1.429
인화점: -29 °C · -29 °C
저장 조건: 2 · 2-8°C
용해도: 2 Cl2, · sol THF, ether, pentane, hexane, CH2Cl2, CHCl3, DMSO
물리적 상태: liquid
InChI: 1S/C4H6O/c1-3-4-5-2/h4H,1H2,2H3
InChIKey: RRWJXAJEGRDMQH-UHFFFAOYSA-N
SMILES: COC=C=C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
risk_code: 11
hazard_code: F
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Reactant involved in:• ;Multicomponent reactions with nitriles and carboxylic acids followed by cyclocondensation for synthesis of enantiopure pyridines1• ;Intermolecular hydroamination2• ;One-pot synthesis of alkoxy and (alkylsulfanyl)-substituted pyrroles and dihydropyridines3• ;Intermolecular [4+2] cycloaddition with dienes4• ;Allenyl cyclization and subsequent transformation into dicarbonyl, cyclopentenones, and butenolide compounds5• ;Insertion reactions of C-C pi-bonds into alkylidenesilacyclopropanes6

제조 방법 · 1건

Methoxyallene can be prepared on a tens-of-grams scale by the base-catalyzed isomerization of 1-methoxy-2-propyne (methyl propargyl ether). Related 1-alkoxy-1,2-propadiene ethers can be prepared similarly. A convenient version of this preparation has been reported.