(1R,2R)-2-メチルシクロプロパン-1-カルボン酸

rel-(1R,2R)-2-Methylcyclopropanecarboxylic acid

HCID 6995705CAS 10487-86-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C[C@@H]1C[C@H]1C(=O)O
InChIKey: AYEGPMGNMOIHDL-QWWZWVQMSA-N
分子式: C5H8O2
平均分子量: 100.12 g/mol
単同位体質量: 100.0524295

名称と識別子

優先名称: rel-(1R,2R)-2-Methylcyclopropanecarboxylic acid
IUPAC: trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
現地名: (1R,2R)-2-メチルシクロプロパン-1-カルボン酸
英語名: (1R,2R)-2-Methylcyclopropane-1-carboxylic acid
分子式: C5H8O2
分子量: 100.12

名称と別名

10487-86-2trans-2-Methylcyclopropanecarboxylic acidDTXSID901242652rel-(1R,2R)-2-Methylcyclopropanecarboxylic acid(1R,2R)-2-methylcyclopropane-1-carboxylic acid >99% e.e.RefChem:879081DTXCID301673532228-266-5801-601-8EINECS 228-266-5(1R,2R)-2-methylcyclopropane-1-carboxylic acid6202-94-4

名称をさらに表示

(1 R,2R)-2-methylcyclopropanecartx)xylic acid(1R,2R)-2-Methylcyclopropane-1-carboxylicacid>97%(1R,2R)-2-methylcyclopropanecarboxylic acid - [M81205]

(1R,2R)-2-methylcyclopropanecarboxylic acid(1R,2R)-rel-2-Methylcyclopropanecarboxylic acidMFCD19228131trans-Methylcyclopropanecarboxylic AcidCyclopropanecarboxylic acid, 2-methyl-, (1R,2R)-SS-4627trans-2-methylcyclopropane carboxylic acid(1R,2R)-2-methylcyclopropanecarboxylicacid

データベース識別子

CAS: 10487-86-2、6202-94-4
PubChem CID: 6995705
DTXSID: DTXSID901242652
EC Number: 228-266-5、801-601-8
Nikkaji: J215.847G

物性

構造計算による物性

XLogP: 0.7
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 98.3

物理化学的性質

沸点: 191.2 · 191.2±0.0 °C(Predicted)
比重(密度): 1.171 · 1.171±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 4.88 · 4.88±0.11(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

安全データ

hs_code: 2902900000

化学と産業

応用分野 · 1 件

使用(1R,2R)-2-Methylcyclopropanecarboxylic Acid, is an intermediate used for the synthesis of (1R,2R)-trans-1-(Chloromethyl)-2-methylcyclopropane (C369820). It can also be used for the preparation of Luzopeptin A-C and Quinoxapeptin A-C, acting as potent inhibitors of HIV-1 reverse transcriptase.

上流・下流製品情報

上流原料

下流製品

(1S,2S)-(+)-2-メチルシクロプロパン-1-カルボン酸 [(1R,2R)-2-METHYLCYCLOPROPYL]METHANOL

サプライヤー38 社

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

南京修合医药科技有限公司19848384152 · [email protected]

北京依凯诺医药技术开发有限公司18518619637 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]