1-클로로-1-메틸실라사이클로부탄

Silacyclobutane, 1-chloro-1-methyl-

HCID 137554CAS 2351-34-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[Si]1(Cl)CCC1
InChIKey: JWKKXHBGWAQZOK-UHFFFAOYSA-N
분자식: C4H9ClSi
평균 분자량: 120.65 g/mol
단동위원소 질량: 120.0162045

이름 및 식별자

우선 이름: Silacyclobutane, 1-chloro-1-methyl-
IUPAC: 1-chloro-1-methylsiletane
현지명: 1-클로로-1-메틸실라사이클로부탄
영어명: 1-Chloro-1-methylsilacyclobutane
분자식: C4H9ClSi
분자량: 120.65

이름 및 동의어

2351-34-0Silacyclobutane, 1-chloro-1-methyl-DTXSID40178075RefChem:182831DTXCID701005661-Chloro-1-methylsiletane1-Chloro-1-methylsilacyclobutanecyclotrimethylenemethylchlorosilaneMFCD00191926Silacyclobutane,1-chloro-1-methyl-1-chloro-1-methyl-silacyclobutane1-chloro-1-methyl-1-silacyclobutane

이름 더 보기

1-클로로-1-메틸실라사이클로부탄1-Chloro-1-Methylsilacyclobutane 98%

1-chloro-1-methyl-siletane1-Chloro-1-methylsiletane #SCHEMBL1484066AKOS0159126621-Chloro-1-methylsilacyclobutane, 98%s25127AS-86403H55018

데이터베이스 식별자

CAS: 2351-34-0
PubChem CID: 137554
DTXSID: DTXSID40178075
EC Number: 626-067-1
Nikkaji: J1.046.328I

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 58.6

실험 및 물리화학적 성질

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 103 °C · 103 °C(lit.)
밀도: 0.985 g/mL · 0.985 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.45(lit.)
인화점: 37 °F · 37 °F
용해도: 대부분의 비양성자성 유기 용매에 용해됩니다.
물리적 상태: liquid
Specific Gravity: 0.985 · 0.985
InChI: InChI=1S/C4H9ClSi/c1-6(5)3-2-4-6/h2-4H2,1H3
InChIKey: JWKKXHBGWAQZOK-UHFFFAOYSA-N
SMILES: [Si]1(Cl)(C)CCC1

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, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
tsca: No
ridadr: UN 2985 3/PG 2
risk_code: 11-14-34
hazard_code: F,C
safety_code: 16-26-36/37/39-45
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Siletanes (silacyclobutanes) represent a unique class of silicon-based reagents that have enjoyed much success in a number of synthetic applications including aldol reactions, allylations, cross-coupling reactions, carbosilane oxidations, and ring expansions. The manifestation of their strain in enhanced Lewis acidity and in the ring opening to silanols accounts for their utility. 1-Chloro-1-methylsiletane can be used for the preparation of the various siletane derivatives for these applications.Grignard reagents react efficiently with 1-chloro-1-methylsiletane to provide the corresponding aryl-, alkenyl-, or alkylsiletanes (eqs 1–3).On the contrary, reactions with alkyllithiums are limited to the reaction of 1 with a lithium acetylide (eq 4).The reaction of 1 with an intermediate vinylalane obtained by hydroalumination of 1-heptyne gave (E)-1-heptenylmethylsiletane in >99/1 isomeric purity (eq 5).The reaction of 1 with LiAlD4 afforded 1-deuterio-1-methylsiletane (eq 6).

제조 방법

siletane can be prepared in large quantities byWurtz coupling reaction of dichloro-3-chloropropylmethylsilane with Mg.It is commercially available from Gelest and Aldrich chemical company.