シクロトリメチレンメチルクロロシラン

Silacyclobutane, 1-chloro-1-methyl-

HCID 137554

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2351-34-0
標準SMILES: C[Si]1(Cl)CCC1
InChIKey: JWKKXHBGWAQZOK-UHFFFAOYSA-N
分子式: C4H9ClSi
平均分子量: 120.65 g/mol
単同位体質量: 120.0162045

名称と識別子

優先名称: Silacyclobutane, 1-chloro-1-methyl-
IUPAC: 1-chloro-1-methylsiletane
現地名: シクロトリメチレンメチルクロロシラン
英語名: 1-Chloro-1-methylsilacyclobutane
分子式: C4H9ClSi
分子量: 120.65

名称と別名

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

名称をさらに表示

シクロトリメチレンメチルクロロシラン1-クロロ-1-メチルシラシクロブタン1-Chloro-1-Methylsilacyclobutane 98%

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 58.6

実験および物理化学的性質

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

物理化学的性質

沸点: 103 °C · 103 °C(lit.)
比重(密度): 0.985 g/mL · 0.985 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.45(lit.)
闪点: 37 °F · 37 °F
溶解性: ほとんどの非プロトン性有機溶媒に可溶。
外見: liquid
比重: 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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

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
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用Siletanes (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).

調製方法

製造方法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.