(Bromomethyl)cyclobutane (HCID 2734658)

名称と識別子

優先名称: (Bromomethyl)cyclobutane
IUPAC: bromomethylcyclobutane
現地名: シクロブチルメチルブロミド
英語名: (Bromomethyl)cyclobutane
分子式: C5H9Br
分子量: 149.03

名称と別名

(Bromomethyl)cyclobutane17247-58-4DTXSID10370428EC 700-027-4RefChem:69886DTXCID40321463700-027-4Cyclobutylmethyl bromidebromomethylcyclobutaneMFCD00040960Cyclobutane, (bromomethyl)-Bromomethyl cyclobutane

名称をさらに表示

シクロブチルメチルブロミド(ブロモメチル)シクロブタン(Bromomethyl)cyclobutene(Bromomethyl)cyclobu(Bromomethyl)codobutaneCyclobuty-1-Methyl broMide(Bromomethyl)cyclobutane>(BROMOMETHYL)CYCLOBUTANE 99%(Bromomethyl)cyclobutane,99%

1-(Bromomethyl)cyclobutanebromocyclobutylmethanecyclobutylmethylbromidebromomethyl-cyclobutanecydobutyl-methylbromide(bromomethyl)cyclobutancyclobutyl methyl bromide(bromomethyl) cyclobutane

データベース識別子

CAS: 17247-58-4
PubChem CID: 2734658
DTXSID: DTXSID10370428
EC Number: 700-027-4
Nikkaji: J1.479.779C

物性

構造計算による物性

XLogP: 2.3
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: 1
重原子数: 6
形式電荷: 0
複雑度: 39.2

物理化学的性質

沸点: 123 · 123-124 °C(lit.)
比重(密度): 1.326 g/mL · 1.326 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.48(lit.)
闪点: 97 °F · 97 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: 液体
比重: 1.326 · 1.326
色: 無色透明
水溶解度: 80 mg/L · 80mg/L at 20℃
InChI: InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2
InChIKey: FLHFTXCMKFVKRP-UHFFFAOYSA-N
SMILES: C1(CBr)CCC1
CAS データベース: 17247 · 17247-58-4(CAS DataBase Reference)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Cyclobutane, (bromomethyl)-

Status: Cease Manufacture Update: 14-12-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1879

Cyclobutyl methyl bromide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29038900
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 16-26-36
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用(Bromomethyl)cyclobutane may be used in the synthesis of racemic 3-cyclobutylalanine and 17-(cyclobutylmethyl)morphinan-3-ol (butorphan).

一般的な説明(Bromomethyl)cyclobutane (bromomethyl-cyclobutane) is an aryl fluorinated building block. Its reaction with various hydroxychromen-4-one derivatives in the presence of anhydrous K2CO3/dry acetone and Bu4N+I- (PTC) has been investigated.

調製方法 · 1 件

製造方法The preparation of (Bromomethyl)cyclobutane is as follows:Into a clean, dry reactor equipped with a stirrer and under nitrogen are successively loaded 5.4 kg of DMF (5.1 eqV) and then 4.53 kg of triphenylphosphite. 2.34 kg of bromine is then introduced while maintaining the temperature at less than 12°C. The stirring speed is regulated according to the fluidity of the reaction medium.10065] The set point of the jacket is then adjusted to -12°C. and then 1.120 kg of cyclobutylmethanol is introduced in such a way as not to exceed a temperature of -5° C. At the end of the addition the whole is allowed to return slowly to room temperature. After distillation and washing, the final product 2b (mass 1.529 kg) having a GC relative purity of 98.3% is obtained with a yield of 78%.