CAS: 34701-33-2; (R)-3-Methyl-2-Butylamine

该化合物是具有矿物质功能组特征的有机化合物,表明其基本特性,该化合物具有分形烷基链,具有疏水特性,而该金属组则具有极性特性,允许与其他极物质发生潜在互动.作为一个手动分子,它存在于两种对应形式,其(R)配置为一种特定的立体异构体.该立体化学学可影响其生物活动和在不同化学环境中的相互作用.该化合物的纯度和具体条件可能使其无色性,液体或固体不显色,其应用可能扩大到药物等领域,其中氨往往是关键中间体或活性药物成分.应当查阅安全数据以便处理和储存,因为氨可能是刺激剂,如果管理不当,可能会对健康造成危害.

英文名称(R)-3-Methyl-2-Butylamine
中文名称(R)-(-)-3-甲基-2-丁胺
IUPAC名称(R)-3-methylbutan-2-amine
其它别名(R)-(-)-3-Methyl-2-Butylamine; (R)-(+)-3-Methyl-2-Butylamine; (R)-3-Methyl-2-Butylamine; (R)-(-)-3-Methyl-2-Butylamine, Chipros; (R)-(-)-2-Amino-3-Methylbutane, Chipros , Ee ; (R)-(-)-3-Methyl-2-Butylamine, Chipros , Ee ; (R)-3-Methylbutan-2-Amine; 2-Butanamine,3-Methyl-, (2R)-
CAS编号34701-33-2
MFCD编号:MFCD01075731
EINECS号:628-450-9
FDA UNII编号:S9YGL88QKQ
分子式:C5H13N
分子量:87.17
产品CID: 1351190
产品分类生物化工 → 生化试剂 → 胺、酸和盐

相似结构搜索
InChIKey: JOZZAIIGWFLONA-RXMQYKEDSA-N
InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1…
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

沸点85.5±0.0 °C at 760 mmHg
闪点-27.8±0.0 °C
密度0.8±0.1 g/cm3
PH:-5.5 º (NEAT)
pKa:10.80±0.10(预测)
PSA:26.02
LogP:1.09
旋光度-5.5º(NEAT)
折射率1.411
蒸汽压69.2±0.1 mmHg at 25°C
溶解性Soluble in water (60g/L at 20°C).
敏感性空气敏感
外观形态液体
储存条件保持贮藏器密封保存、储存在阴凉、干燥环境的地方，确保工作间有良好的通风或排气装置
产品应用该化合物用于农用化学,制药和染料领域.

MSDS等安全信息

GHS象形图
GHS符号GHS02 & GHS06 & GHS05;
注释: Flame & Skull and crossbones & Corrosion
危险类别易燃液体类别2
急性毒性类别3(吸入)
急性毒性类别4(经口)
皮肤腐蚀类别1B
严重眼损伤类别1
水生慢性毒性类别2
警示词Danger(危险)
危险描述H225 |高度易燃液体和蒸气.
H331 |吸入会中毒.
H302 |吞咽有害.
H314 |造成严重皮肤灼伤和眼损伤.
H318 |造成严重眼损伤.
H411 |对水生生物有毒并具有长期持续影响.
防范说明P210-P280-P301+P330+P331-P303+P361+P353-P304+P340+P311-P305+P351+P338
危险等级3
UN编号UN 2733 3/PG 2
危险品标志F,C
包装等级II
安全声明26-36/37/39-45
危险类别码11-22-34
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

1,2-甲基丙胺 2-Amino-3-Methylbutane 598-74-3
L-缬氨醇 (S)-Valinol 2026-48-4

合成工艺路线路线简述

3-甲基-2-丁醇置于alcohol Dehydrogenase From Streptomyces Coelicolor,Leucine Dehydrogenase From Exiguobactertium Sibiricum K77S/n270L Double Mutant,还原型辅酶ⅰ体系中,用 Aq. Buffer 用作溶剂,化学反应 24.0H,以93%的收率获得(R)-(-)-3-甲基-2-丁胺
参考文献:使用氧化还原中性双酶级联反应对仲醇进行不对称胺化反应
标题:使用氧化还原中性双酶级联反应对仲醇进行不对称胺化反应
摘要:需要从简单的非手性化合物合成光学纯分子的多酶级联方法.在此,通过使用醇脱氢酶和新开发的胺脱氢酶成功构建了外消旋仲醇不对称胺化为相应手性胺的辅因子自足级联方案.两种酶的相容性和相同的辅因子依赖性导致在单罐合成中形成了巧妙的原位辅因子回收系统.人工氧化还原-中性级联过程使外消旋仲醇转化为对映体纯胺,具有相当大的转化率(高达94%),对映体过量超过99%,而仅以氨为代价.
Doi:10.1002/cctc.201500785

专利信息

专利号:US-8084630-B2
优先权日:2007-05-31
标题 :Process for the synthesis of ramelteon and its intermediates
发明人：KANSAL VINOD KUMAR; MISTRY DHIRENKUMAR N; VASOYA SANJAY L; RAFILOVICH MICHAL; MOHA-LERMAN ELENA BEN; LIFSHITZ-LIRON REVITAL
权利人:KANSAL VINOD KUMAR; MISTRY DHIRENKUMAR N; VASOYA SANJAY L; RAFILOVICH MICHAL; MOHA-LERMAN ELENA BEN; LIFSHITZ-LIRON REVITAL; TEVA PHARMA
摘要:The present invention provides processes and intermediates for the synthesis of ramelteon.

专利号:US-6448058-B1
优先权日:1997-09-12
标题:Methods for solid phase synthesis of mercapto compounds and derivatives, combinatorial libraries thereof and compositions obtained thereby
发明人：PATEL DINESH V; NGU KHEHYONG; ZHOU JIANPING
权利人:VERSICOR INC
摘要:Methods of preparing combinatorial libraries of mercapto (thiol) compounds them and compositions obtained therefrom are disclosed. The compounds are synthesized on a solid support. Following synthesis, the compounds are optionally cleaved from the support. One such method of synthesis involves attack of an S-protected nucleophile on a resin functionalized with a leaving group. The invention also provides for screening the mercapto compounds for bioactive compounds; in particular, for inhibitors of MMPs.

专利号:US-2009281176-A1
优先权日:2007-11-01
标题:Process for the synthesis of ramelteon and its intermediates
发明人：KANSAL VINOD KUMAR; MISTRY DHIRENKUMAR N; VASOYA SANJAY L; PATEL RAKESH; JADAV ARPAN M
权利人:KANSAL VINOD KUMAR; MISTRY DHIRENKUMAR N; VASOYA SANJAY L; PATEL RAKESH; JADAV ARPAN M
摘要:A process for the preparation of ramelteon and intermediates useful in the process. The process suitable for industrial scale provides increased yield and/or greater purity with fewer process steps.

专利号:WO-2009056993-A2
优先权日:2007-11-01
标题 :A process for the synthesis of ramelteon and its intermediates

专利号:US-2009069581-A1
优先权日:2007-05-31
标题:Process for the synthesis of ramelteon and its intermediates

专利号:EP-2098519-A1
优先权日:2007-05-31
标题 :Process for the synthesis of ramelteon and its intermediates