アミノシクロブタン

Cyclobutylamine

HCID 75645CAS 2516-34-9

基本情報

標準SMILES
NC1CCC1
InChIKey
KZZKOVLJUKWSKX-UHFFFAOYSA-N
分子式
C4H9N
平均分子量
71.12 g/mol
単同位体質量
71.07349929

名称と識別子

優先名称
Cyclobutylamine
IUPAC
cyclobutanamine
現地名
アミノシクロブタン
英語名
Cyclobutylamine
分子式
C4H9N
分子量
71.12

名称と別名

CyclobutylamineCyclobutanamine2516-34-9Aminocyclobutane1-AminocyclobutaneHFH6FE5D4YDTXSID00870982RefChem:1082441DTXCID10818658219-736-0cyclobutaneaminecyclobutyl amine
名称をさらに表示
アミノシクロブタン1-シクロブタンアミンシクロブタン-1-アミンシクロブチルアミンシクロブチルアミン, 98%シクロブタンアミンobutyLAURORA KA-7608Ring-butylaMine1-CyclobutanamineCyclobutylaMine 98%Cyclobutylamine,98%Cyclobutane-1-amine
cyclobutylaminMFCD00001328EINECS 219-736-0Cyclobutylamine, 98%UNII-HFH6FE5D4YPS-9374CS-0006656Q31190376

データベース識別子

CAS
2516-34-9、6291-01-6
PubChem CID
75645
DTXSID
DTXSID00870982
UNII
HFH6FE5D4Y
EC Number
219-736-0
Nikkaji
J80.508D

物性

構造計算による物性

XLogP
0.2
極性表面積
26 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
0
重原子数
5

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

物理化学的性質

融点
133 · 133-135.5 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
沸点
81.5 °C752 · 81.5 °C752 mm Hg(lit.)
比重(密度)
0.833 g/mL · 0.833 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.437(lit.)
闪点
24 °F · 24 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (98%): 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 49 reports by companies from 6 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 (98%)

安全データ

wgk
3
ridadr
UN 2733 3/PG 2
hs_code
29213000
risk_code
11-34-20/21/22-36/37/38
消防法
危-4-1-II
hazard_code
F,C,Xi

化学と産業

応用分野 · 1 件

使用Cyclobutylamine is a substrate employed in a microwave-assisted synthesis of 7-azaindoles from dihalopyridines. Also it is a reactant in the preparation of imidazo[1,2-b]pyridazine derivatives as selective and orally available Mps1 (TTK) kinase inhibitors.

調製方法 · 2 件

製造方法The preparation of cyclobutylamine from cyclobutanecarboxylic acid and hydrazoic acid has been reported previously. Cyclobutylamine has also been prepared by the Hofmann-type rearrangement of cyclobutanecarboxamide. More recently it has been prepared in 82–87% overall yield from cyclobutanecarboxamide by oxidative rearrangement with lead tetraacetate or iodosobenzene diacetate.Synthesis of cyclobutylamine

純化方法It has been purified by steam distillation. The aqueous distillate (e.g. 2L) is acidified with 3N HCl (90mL) and evaporated to dryness in a vacuum. The hydrochloride is treated with a few mL of H2O, cooled in ice and a slush of KOH pellets ground in a little H2O is added slowly in portions and keeping the solution very cold. The amine separates as an oil from the strongly alkaline solution. The oil is collected, dried over solid KOH and distilled using a vacuum jacketed Vigreux column (p 11) and protected from CO2 using a soda lime tube. The fraction boiling at 79-83o is collected, dried over solid KOH for 2days and redistilled over a few pellets of KOH (b 80.5-81.5o). Best distil in a dry N2 atmosphere. The purity can be checked by GLC using a polyethylene glycol on Teflon column at 72o, 15 psi, flow rate of 102 mL/min of He. The sample can appear homogeneous but because of tailing it is not possible to tell if H2O is present. The NMR in CCl4 should show no signals less than 1 ppm from TMS. The hydrochloride has a multiplet at ca 1.5-2.6ppm (H 2,2,4,3,3,4,4), a quintet at 3.8 ppm (H 1) and a singlet at 4.75 for NH2 [Roberts & Chambers J Am Chem Soc 73 2509 1951]. The benzenesulfonamide has m 85-86o (from aqueous MeOH) and the benzoyl derivative has m 120.6-121.6o. [Roberts & Mazur J Am Chem Soc 73 2509 1951, Iffland et al. J Am Chem Soc 75 4044 1953, Werner & Casanova Jr Org Synth Coll Vol V 273 1973, Beilstein 12 IV 3.]

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