2-クロロ-1-メチルピリジニウムヨージド

2-Chloro-1-methylpyridinium iodide

HCID 167069CAS 14338-32-0

基本情報

標準SMILES
C[n+]1ccccc1Cl.[I-]
InChIKey
ABFPKTQEQNICFT-UHFFFAOYSA-M
分子式
C6H7ClIN
平均分子量
255.48 g/mol
単同位体質量
254.9311749

名称と識別子

優先名称
2-Chloro-1-methylpyridinium iodide
IUPAC
2-chloro-1-methylpyridin-1-ium iodide
現地名
2-クロロ-1-メチルピリジニウムヨージド
英語名
2-Chloro-1-methylpyridinium iodide
分子式
C6H7ClIN
分子量
255.48

名称と別名

2-Chloro-1-methylpyridinium iodide14338-32-0Mukaiyama ReagentN-methyl-2-chloropyridinium iodidePyridinium, 2-chloro-1-methyl-, iodide1-methyl-2-chloropyridinium iodide2-Chloro-N-methylpyridinium iodide2-chloropyridine methiodideUNII-RLQ88NYZ68EINECS 238-288-7RLQ88NYZ68NSC-200739
名称をさらに表示
2-クロロ-1-メチルピリジニウムヨージド2-クロロ-1-メチルピリジニウム·ヨージド1-メチル-2-クロロピリジニウム·ヨージド2-クロロ-1-メチルピリジニウムヨウ化物2-クロロ-1-メチルピリジニウム ヨ-ジドよう化2-クロロ-1-メチルピリジニウムよう化2‐クロロ‐1‐メチルピリジニウム1-メチル-2-クロロピリジニウム・ヨージド2-クロロ-1-メチルピリジン-1-イウム=ヨージド2-クロロ-1-メチルピリジン-1-イウム・ヨージド2-クロロ-1-メチルピリジニウム・ヨージドCMPI2-chloro-1-Methylpyridin-1-iuM iodide2-Chloro-1-methylpyridine iodide2-Chloro-1-methylpyridinium iodide,97%2-CHLORO-1-METHYLPYRIDINIUM IODIDE FOR S2-Chloro-1-methylpyrVonoprazan Impurity 139Epinastine Impurity 26 Iodide
2-Chloro-1-methylpyridinium iodide (1:1)MUKAIYAMA REAGENT [MI]DTXSID6022260NSC 200739RefChem:861302Chloropyridine methiodide1Methyl2chloropyridinium iodideDTXCID402260

データベース識別子

CAS
14338-32-0
PubChem CID
167069
DTXSID
DTXSID6022260
UNII
RLQ88NYZ68
EC Number
238-288-7

物性

構造計算による物性

極性表面積
3.9 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionNearly colorless or pale yellow solid; [Merck Index] Yellow hygroscopic powder; [Acros Organics MSDS]

物理化学的性質

融点
200 °C · 200 °C (dec.) (lit.)
比重(密度)
1.7949 · 1.7949 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
外見
結晶性粉末および/またはチャンク
色
黄色
水溶解度
溶ける

化学的性質

化学的特性yellow crystalline solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 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

Regulatory Information2-Chloro-1-methylpyridinium iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Acros Organics MSDS] See 3-Chloropyridine. See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor, (iodides)

安全データ

F
8-21
wgk
3
ridadr
1759
hs_code
29333999
risk_code
36/37/38
安衛法
57,57-2

化学と産業

用途と製造

UsesUsed as a condensation reagent in organic synthesis; [Merck Index]
応用分野 · 2 件

使用2-Chloro-1-methylpyridinium iodide is a reagent in a wide variety of dehydrative coupling reactions. It is also used to form carboxylate esters from acids and alcohols, carboxamides from acids and amines, lactones from -hydroxy acids and carbodiimides from N,N-disubstituted thioureas.

一般的な説明2-Chloro-1-methylpyridinium iodide (Mukaiyama reagent), is a commonly used reagent in organic synthesis for the activation of the hydroxy group of alcohols and carboxylic acids. It is used to synthesize derivatives of esters, lactones, amides, lactams, and ketenes from the corresponding carboxylic acids. It is also used as an efficient coupling reagent in the synthesis of peptides because of its low toxicity, simple reaction conditions, and also less expensive than EDC.

調製方法 · 1 件

純化方法Purify it by dissolving in EtOH and adding dry Et2O. The solid is washed with Me2CO and dried at 20o/0.35mm. Store it in the dark. Attempted recrystallisation from Me2CO/EtOH/pet ether (b 40-60o) causes some exchange of the Cl substituent by I. The picrate has m 106-107o, and the perchlorate has m 212-213o. [Jones et al. J Am Chem Soc 111 1157 1989, UV and solvolysis: Barlin & Benbow J Chem Soc, Perkin Trans 2 790 1974, Beilstein 20/5 V 405.]

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