CAS: 109903-35-7; 4-Amino-N-Methylbenzenemethanesulfonamide

该化合物是其磺酰胺功能组,该功能组由附于一个矿的磺酰(SO2)组成,其特点是一个氨基(-NH2)组和一个苯环上的甲基(-CH3)组,有助于其化学反应和潜在的生物活动; 全氟辛烷磺酸组的存在往往具有抗菌特性,使这种化合物与药用化学相关; 它一般在室温下是固态的,由于存在磺酰胺和氨基组,可能会在极地溶剂中出现溶性.该化合物的结构表明,它可能参与氢结,影响其在生物系统中的相互作用.此外,其分子特性可能允许它作为各种酶反应中的基质或抑制剂.与许多磺酰胺一样,在评估其在治疗应用中的用途时,必须考虑其药效和潜在副作用.

英文名称4-Amino-N-Methylbenzenemethanesulfonamide
中文名称4-氨基-N-甲基苯甲烷磺酰胺
IUPAC名称1-(4-aminophenyl)-N-methylmethanesulfonamide
其它别名4-氨基-N-甲基-Alpha-甲苯磺胺; Benzenemethanesulfonamide,4-Amino-N-Methyl
CAS编号109903-35-7
MFCD编号:MFCD00671697
EINECS号:600-932-3
FDA UNII编号:76T5Q2TVD4
分子式:C8H12N2O2S
分子量:200.26
产品CID: 137618
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: CIWNHTXCBHTWRV-UHFFFAOYSA-N
InChI=1S/C8H12N2O2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数3.0

相似化合物

88918-84-7 88933-16-8 4403-84-3

物理性质

熔点140-142°C
沸点387.6±44.0 °C at 760 mmHg
闪点188.2±28.4 °C
密度1.3±0.1 g/cm3
pKa:11.50±0.40(预测)
PSA:72.19
LogP:0.318
折射率1.590
蒸汽压0.0±0.9 mmHg at 25°C
溶解性DMSO (Slightly), Methanol (Slightly, Heated)
敏感性常温常压下稳定，避免与强氧化剂接触。
外观形态淡黄色至浅米色固体
储存条件在惰性气体(氮气或氩气)下 2–8 °C

MSDS等安全信息

GHS象形图
GHS符号GHS06;
注释: Skull and crossbones
危险类别急性毒性类别3(经口)
皮肤致敏类别1
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
水生慢性毒性类别2
警示词Danger(危险)
危险描述H301 |吞咽会中毒.
H317 |可能引起皮肤过敏反应.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H411 |对水生生物有毒并具有长期持续影响.
防范说明P261-P264-P270-P272-P280-P302+P352-P330-P363-P405-P501
危险等级6.1
UN编号2811.0
危险品标志Xn,Xi
风险等级Irritant
包装等级Ⅲ
安全声明36/37
危险类别码22-43
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

CAS号85952-29-0 4-硝基-N-甲基苯甲烷磺酰胺 | CAS号139272-29-0 4-肼基-N-甲基苯甲磺酰胺 | CAS号151140-66-8 4-氨基-3-碘-n-甲基苯甲烷磺酰胺

合成工艺路线路线简述

N-甲基-4-硝基-α-甲苯磺酰胺置于palladium On Activated Charcoal 氢气体系中,化学反应生成4-氨基苯基-N-甲基甲烷磺酰胺
参考文献:5-取代吲哚衍生物的合成,第二部分.Japp-Klingemann 反应合成舒马曲坦
标题:5-取代吲哚衍生物的合成,第二部分.Japp-Klingemann 反应合成舒马曲坦
摘要:Synthesis Of Selective 5-Ht1B/1D Receptor Agonist,Sumatriptan (1) Was Accomplished Through Decarboxylation Of 2-Carboxy-3-[2-(Dimethylamino)Ethyl]-N-Methyl-1H-Indole-5-Methanesulfonamide (2) In Quinoline With Copper Powder. The Preparation Of The Acid (2) Was Effected Through The Japp-Klingemann Method Thus Avoiding The Need For The Formation Of Hydrazine From Diazonium Salt. Attempted Decarboxylation In N,N-Dimethylacetamide Resulted In The Formation Of The Beta-Carboline (16).
Doi:10.3987/com-99-8815

海关参考信息

2902300000-甲苯
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-8822702-B2
优先权日:2002-12-20
标题 :Synthesis of amines and intermediates for the synthesis thereof
发明人：BERENS ULRICH; DOSENBACH OLIVER; SPRENGER DANIEL
权利人:BERENS ULRICH; DOSENBACH OLIVER; SPRENGER DANIEL; BASF SE
摘要:The invention relates in a first embodiment to a method for the manufacture of esters of the formula I, n nor especially of amides of the formula II,n n nwherein the symbols have the meanings given in the specification, as well as other intermediates and compounds useful in the synthesis of tryptamines and other substances mentioned in the title. The synthesis methods and intermediates are useful in the synthesis of pharmaceuticals.

专利号:US-2010087660-A1
优先权日:2002-12-20
标题 :Synthesis of amines and intermediates for the synthesis thereof

专利号:US-8710093-B2
优先权日:2002-12-20
标题 :Synthesis of amines and intermediates for the synthesis thereof

专利号:US-2006058367-A1
优先权日:2002-12-20
标题:Synthesis of amines and intermediates for the synthesis thereof

专利号:US-2012220782-A1
优先权日:2002-12-20
标题 :Synthesis of amines and intermediates for the synthesis thereof

专利号:JP-2012072174-A
优先权日:2002-12-20
标题 :Synthesis of amines and intermediates for their synthesis