dimethyl(methylidene)azanium chloride

• ChemBase编号: 139989
• 分子式: C3H8ClN
• 平均质量: 93.55532
• 单一同位素质量: 93.03452694
• SMILES: C[N+](=C)C.[Cl-]
• Canonical SMILES: C[N+](=C)C.[Cl-]
• InChI: InChI=1S/C3H8N.ClH/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1
• InChIKey: ZJTROANVDZIEGB-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: dimethyl(methylidene)azanium chloride
• IUPAC传统名: dimethyl(methylidene)azanium chloride
• 别名: Eschenmoser 盐; N,N-二甲基氯烯亚胺; Dimethylformiminium chloride; Methylenedimethylammonium chloride; Eschenmoser’s salt; N,N-Dimethylmethyleneiminium chloride

登记号

• CAS号: 30354-18-8
• EC号: 250-142-4
• MDL号: MFCD00011809
• Beilstein号: 505955
• PubChem SID: 162234234; 24871926; 24865473
• PubChem CID: 11051579

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.7471042
• LogD (pH = 7.4): -3.7471042
• Log P: -3.7471042
• 摩尔折射率: 29.3724 cm^3
• 极化性: 7.276546 Å^3
• 极化表面积: 3.01 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 146-148 °C(lit.)
• 闪点: 179.6 °F; 82 °C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1325
• 德国WGK号: 3
• 联合国危险货物等级: 4.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H228-H315-H319-H335
• GHS警示性声明: P210-P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1325 4.1/PG 3

产品相关信息

• 纯度: ≥95.0% (AT); 90%
• 级别: technical grade
• 线性分子式: CH2=N+(CH3)2Cl-

详细说明

Sigma Aldrich - 483893

包装
5, 25 g in glass bottle
Application
Reacant for:Preparation of dihydronaphthyridinones as HIV-1 integrase inhibitors1Mannich reactions2Preparation of cyanotetrahydrooxo-β-carbolines via cyclocondensation reactions3Asymmetric synthesis of phalarine via stereospecific Pictet-Spengler cyclocondensation and traceless chirality transfer from L-tryptophan4Synthesis of functionalized diarylpyrrolizines as inhibitors of microsomal prostaglandin E2 synthase-1 (mPGES-1) and 5-lipoxygenase (5-LOX)5Synthesis of (±)-phalarine with the rearrangement of an azaspiroindolenine and Gassman oxindole preparation as key steps6

Sigma Aldrich - 40766

Other Notes
供直接使用的"Mannich 试剂"；与传统的"Mannich 反应"相比，可在更短时间内生成产量和纯度更高的产物7,8,9；与三氟甲磺酸三甲基硅酯原位制备反应性三氟甲磺酸盐10
包装
5, 25 g in glass bottle
Application
Reacant for:Preparation of dihydronaphthyridinones as HIV-1 integrase inhibitors1Mannich reactions2Preparation of cyanotetrahydrooxo-β-carbolines via cyclocondensation reactions3Asymmetric synthesis of phalarine via stereospecific Pictet-Spengler cyclocondensation and traceless chirality transfer from L-tryptophan4Synthesis of functionalized diarylpyrrolizines as inhibitors of microsomal prostaglandin E2 synthase-1 (mPGES-1) and 5-lipoxygenase (5-LOX)5Synthesis of (±)-phalarine with the rearrangement of an azaspiroindolenine and Gassman oxindole preparation as key steps6