CAS 6485-55-8 2,6-Dimethylmorpholine, cis- (HCID 641500)

名称と識別子

優先名称: 2,6-Dimethylmorpholine, cis-
IUPAC: (2S,6R)-2,6-dimethylmorpholine
現地名: cis-2,6-ジメチルモルホリン
英語名: cis-2,6-Dimethylmorpholine
分子式: C6H13NO
分子量: 115.17

名称と別名

cis-2,6-Dimethylmorpholine6485-55-82,6-Dimethylmorpholine, cis-Morpholine, 2,6-dimethyl-, cis-2,6-cis-dimethylmorpholineMORPHOLINE, 2,6-DIMETHYL-, (2R,6S)-REL-VWD860P007EINECS 229-353-0EC 229-353-02,6-DIMETHYLMORPHOLINE, MESO-RefChem:445725229-353-0

名称をさらに表示

cis-2,6-ジメチルモルホリン(2S)-2β,6β-ジメチルモルホリン2α,6α-ジメチルモルホリン(2R,6S)-2,6-ジメチルモルホリン2β,6β-ジメチルモルホリンCis-2,6-MethylmorpolineP-methoxy-alpha-BromoacetophenoneCdmm750 graMs6-DiMethylMorpholinecis-2,6-Dimethylmorphinecis-2,6-Dimethylmorpholincis-2,6-Dimethylmorpoline

(2R,6S)-2,6-dimethylmorpholine(2S,6R)-2,6-dimethylmorpholineMFCD00078428morpholine, 2,6-dimethyl-, (2R,6S)-2098200-15-6Cic-2,6-DimethylmorpholineUNII-VWD860P007(2R,6S)-rel-2,6-Dimethylmorpholine; (2R,6S)-2,6-Dimethylmorpholine; (2R,6S)-2,6-Dimethylmorpholine; 2,6-cis-Dimethylmorpholine; cis-(2R,6S)-2,6-Dimethylmorpholine; cis-2,6-Dimethylmorpholine

データベース識別子

CAS: 6485-55-8
PubChem CID: 641500
DTXSID: DTXSID00896844
UNII: VWD860P007
EC Number: 229-353-0
Nikkaji: J225.149C

物性

構造計算による物性

XLogP: 0.3
極性表面積: 21.3 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: 0
重原子数: 8
形式電荷: 0
複雑度: 66

物理化学的性質

融点: -85 °C · -85 °C
沸点: 140 · 140-142 °C
比重(密度): 0.93 · 0.93
蒸気圧: 3.38 · 3.38-5.4hPa at 15.1-21.9℃
屈折率: 1.445 · 1.445-1.447
闪点: 41 °C · 41 °C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Chloroform (Sparingly), Dichloromethane (Sparingly), Methanol (Slightly)
外見: 液体
酸解離定数(Pka): 9.04 · 9.04±0.60(Predicted)
色: 無色透明
BRN: 878182 · 878182
InChI: InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
InChIKey: HNVIQLPOGUDBSU-OLQVQODUNA-N
SMILES: N1C[C@H](C)O[C@H](C)C1 |&1:2,5,r|
LogP: -0.15 at · -0.15 at 25℃
CAS データベース: 6485 · 6485-55-8(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 · 6 件

This chemical does not meet GHS hazard criteria for 0.6% (1 of 174) of reports.

Danger

H226 (98.9%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (94.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (94.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 174 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 174 reports by companies.；There are 12 notifications provided by 173 of 174 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12344

Hazard Classes and CategoriesFlam. Liq. 3 (98.9%)；Acute Tox. 4 (94.3%)；Acute Tox. 4 (97.7%)；Skin Corr. 1B (94.8%)；Eye Dam. 1 (97.1%)

法規制情報

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12344

安全データ

rtecs: QE1750000
ridadr: 1993
hs_code: 29339900
risk_code: 34-21/22-10-41-37/38-22
消防法: 危-4-2-III
hazard_code: C,Xn
safety_code: 45-36/37/39-26-23-39
hazard_class: 3
packing_group: III

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

応用分野 · 2 件

使用Cis-2,6-Dimethylmorpholine is used in the synthesis of p38α MAP kinase inhibitors used in the treatment of autoimmune diseases. Also used towards the synthesis of potent agonists and antagonists of 5-HT 4 receptors.

一般的な説明The cis-2,6-dimethylmorpholine isomer exhibits superior fungicidal activity against a broad range of fungi compared to its trans-isomer[1][2]. This compound serves as a precursor in the synthesis of pyrazolopyrimidine mTOR inhibitors, where it replaces morpholine to yield specific derivative structures[2][3].