CAS: 157335-93-8; 4,6-Dimethylpyrimidine-5-Carboxylic Acid

该化合物是一种环状七环有机化合物,其特点是在4和6位置用两个甲基组取代了四和六位置,在5位置上则用一个碳球酸功能组取代了两组,该化合物一般是晶状固体,由于有机碳酸组的存在,可溶解于极地溶剂中,可进行氢联结;其分子结构有助于其在制药和农用化学中的潜在应用,因为经常会为其生物活动探索微米碘衍生物;该化合物的酸性受到箱状酸组的影响,使其变成一种微酸;此外,甲基组的存在会影响其脂性及总体再活性;与许多微米酸衍生物一样,它可能具有诸如抗微生物或反氟化剂活动等有趣的特性,但需要进一步调查具体的生物活动;处理和使用安全数据,如任何化学物质一样.

英文名称4,6-Dimethylpyrimidine-5-Carboxylic Acid
中文名称4,6-二甲基嘧啶-5-羧酸
IUPAC名称4,6-dimethylpyrimidine-5-carboxylic acid
其它别名4,6-二甲基-5-嘧啶甲酸; 5-Pyrimidinecarboxylicacid,4,6-Dimethyl-(9Ci)
CAS编号157335-93-8
MFCD编号:MFCD07787545
EINECS号:802-216-8
分子式:C7H8N2O2
分子量:152.15
产品CID: 786264
产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

相似结构搜索
InChIKey: SBJRXHBKPCHGQY-UHFFFAOYSA-N
InChI=1S/C7H8N2O2/c1-4-6(7(10)11)5(2)9-3-8-4/h3H,1-2H3,(H,10,11)…
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

832090-44-5 157335-92-7 74356-36-8

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
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
急性毒性类别4(吸入)
急性毒性类别4(经皮)
严重眼刺激类别2A
警示词Warning(警告)
危险描述H302 |吞咽有害.
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.
H332 |吸入有害.
H312 |皮肤接触有害.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi
安全声明H332 (33.33%)H302 (66.67%)H312 (33.33%)

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

2-Bromo-6-[(3-Fluoro-4-Methoxybenzoyl)Amino]-4-Methoxyphenyl-3-Fluoro-4-Methoxybenzoate置于acidic Solution,Sodium Ethanolate体系中,用乙醇用作溶剂,化学反应生成4,6-二甲基嘧啶-5-甲酸
参考文献:Piperazine-Based Ccr5 Antagonists As Hiv-1 Inhibitors. Iii: Synthesis,Antiviral And Pharmacokinetic Profiles Of Symmetrical Heteroaryl Carboxamides
标题:Piperazine-Based Ccr5 Antagonists As Hiv-1 Inhibitors. Iii: Synthesis,Antiviral And Pharmacokinetic Profiles Of Symmetrical Heteroaryl Carboxamides
摘要:The Unsymmetrical Nicotinamide-N-Oxide Moiety In Compound I Was Replaced With Symmetrical Isonicotinamides As Well As 4,6-Dimethyl Pyrimidine-5-Carboxamides. Compound 16 From The Latter Set Reduced The Number Of Rotamers,Improved Potency Of Inhibiting Uiv Entry,Slightly Diminished The Affinity For The Muscarine Receptors And Showed Very Good Oral Absorption. (C) 2002 Elsevier Science Ltd. All Rights Reserved.
Doi:10.1016/s0960-894X(02)00918-6

海关参考信息

2905110000-甲醇
2912110000-甲醛
2915110000-甲酸
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
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-7161024-B2
优先权日:2003-07-10
标题 :Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters
发明人：DRAPER RICHARD W
权利人:SCHERING CORP
摘要:In its several embodiments, this invention discloses a novel process to prepare the compounds of Formula 3: n nwherein R 1 is lower alkyl, and R 2 and R 3 can be the same or different, each being independently selected from the group consisting of alkyl, aryl and aralkyl; said process being carried out in a suitable solvent with at least one tert-amine carboxylate salt catalyst. The compounds of formula 3 are chemical intermediates useful for the synthesis of various heterocyclic compounds. These heterocyclic compounds are in turn useful precursors for diverse pharmaceutical, herbicidal and insecticidal agents. In particular, these intermediates are useful precursors to a variety of CCR5 inhibitors.