82954-65-2 ((S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺,(4S)-2,2-dimethyl-1,3-dioxolan-4-ylmethanamine)

快速询单

结构式：

(S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺MOL文件

CAS号：

82954-65-2

中文名称：

(S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺

英文名称：

(4S)-2,2-dimethyl-1,3-dioxolan-4-ylmethanamine

分子式：

C₆H₁₃NO₂

分子量：

131.172921895981

(S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺(82954-65-2)名称与标识符

名称

中文别名：

(S)-(+)-(2,2-二甲基-[1,3]-二氧杂烷-4-基)-甲胺;(S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺;

英文别名：

1,3-Dioxolane-4-methanamine,2,2-dimethyl-, (4S)-;(S)-(+)-(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE;(S)-(2,2-Dimethyl-1,3-dioxolan-4-yl)methanamine;[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine;((s)-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanamine;1,3-Dioxolane-4-methanamine, 2,2-dimethyl-, (4S)-;1-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine;HXOYWCSTHVTLOW-YFKPBYRVSA-N;TC;(4S)-2,2-dimethyl-1,3-dioxolan-4-ylmethanamine;(4S)-2,2-Dimethyl-1,3-dioxolane-4-methanamine (ACI);1,3-Dioxolane-4-methanamine, 2,2-dimethyl-, (S)- (ZCI);(S)-(2,2-Dimethyl-1,3-dioxolan-4-yl)methylamine;1,3-Dioxolane-4-methanamine 2,2-dimethyl-, (4S)-;W-200511;GEO-01181;Dimethyl-1,3-dioxolan-4-yl)methanamine;EN300-2917637;(S)-(2,2-dimethyl-[1,3]-dioxolan-4-yl)-methylamine;AKOS005257684;MFCD03095390;DTXSID301003024;(S)-(+)-(2,2-dimethyl-[1,3]-dioxolan-4-yl)-methylamine, AldrichCPR;AKOS006276653;D75607;(s)-(+)-(2,2-dimethyl-[1,3]-dioxolan-4-yl)methylamine;CS-0094691;2,2-dimethyl-4(s)-4-aminomethyl-1,3-dioxalane;CS-16285;(S)-2,2-dimethyl-[1,3]dioxolane-4-methanamine;SCHEMBL949218;82954-65-2;

标识符

MDL：

MFCD03095390

InChIKey：

HXOYWCSTHVTLOW-YFKPBYRVSA-N

Inchi：

1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3/t5-/m0/s1

SMILES：

C([C@H]1COC(C)(C)O1)N

(S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺(82954-65-2)物化性质

实验特性

沸点 : 147-148°C/14mm
密度 : 1.012

计算特性

精确分子量 : 131.094628657g/mol
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 131.094628657g/mol
重原子数量 : 9
复杂度 : 103
同位素原子数量 : 0
确定原子立构中心数量 : 1
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.5
拓扑分子极性表面积 : 44.5

(S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺(82954-65-2)安全信息

(S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺(82954-65-2)推荐厂家更多厂家(13)

公司名称	手机号/电话	联系人	QQ	询单
江西伯业医药科技有限公司	15377010747 027-81625225	李端慧	3266171690	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单

(S)-(2,2-二甲基-1,3-二氧戊环-4-基)甲基胺(82954-65-2)合成路线

合成路线：1 步

163060-66-0

_93%

82954-65-2

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran

参考文献：

Efficient pathways to (R)- and (S)-5-hydroxymethyl-2-oxazolidinone and some derivatives

Danielmeier, Karsten; et al, Tetrahedron: Asymmetry, 1995, 6(5), 1181-90

合成路线：1 步

163060-67-1

_93%

82954-65-2

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran

参考文献：

Efficient pathways to (R)- and (S)-5-hydroxymethyl-2-oxazolidinone and some derivatives

Danielmeier, Karsten; et al, Tetrahedron: Asymmetry, 1995, 6(5), 1181-90

合成路线：1 步

85820-82-2

_82%

82954-65-2

反应条件：

1.1 Reagents: Disodium sulfide Solvents: Methanol , Water ; 24 h, 55 °C

参考文献：

A practical approach to the synthesis of enantiomerically pure 2,6-disubstituted morpholines under phase transfer catalysis conditions

Albanese, D.; et al, Catalysis Today, 2009, 140(1-2), 100-104

合成路线：1 步

85820-82-2

_81%

82954-65-2

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 24 h, rt

参考文献：

Design and preparation of a novel prolinamide-based organocatalyst for the solvent-free asymmetric aldol reaction

Martins, Rafaela de S.; et al, Tetrahedron, 2020, 76(5),

合成路线：1 步

117465-48-2

_71%

82954-65-2

反应条件：

1.1 Reagents: Hydrogen , Ammonia Catalysts: Nickel Solvents: Water

参考文献：

Syntheses and structures of diastereomerically pure 2,6-disubstituted 3-morpholinones

Danklmaier, Johann; et al, Liebigs Annalen der Chemie, 1988, (12), 1149-53

合成路线：1 步

119835-87-9

_55%

82954-65-2

反应条件：

1.1 Reagents: Hydrazine Solvents: Methanol , Water ; 4 - 5 h, reflux

参考文献：

Stereochemistry-Controlled Supramolecular Architectures of New Tetrahydroxy-Functionalized Amphiphilic Carbocyanine Dyes

Schade, Boris; et al, Chemistry - A European Journal, 2020, 26(30), 6919-6934

合成路线：1 步

22323-82-6

82954-65-2

参考文献：

Helical supramolecular organization of a 1,2-diol appended naphthalene diimide organogelator via an extended intermolecular H-bonding network

Shinde, Sopan Valiba; et al, RSC Advances, 2016, 6(36), 30690-30694

合成路线：3 步

22323-82-6

82954-65-2

反应条件：

1.1 Reagents: Imidazole , Triphenylphosphine , Iodine Solvents: Toluene ; 2 h, 90 °C
2.1 Reagents: Sodium azide Solvents: Dimethylformamide ; 6 h, 60 °C
3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 24 h, rt

参考文献：

Design and preparation of a novel prolinamide-based organocatalyst for the solvent-free asymmetric aldol reaction

Martins, Rafaela de S.; et al, Tetrahedron, 2020, 76(5),

合成路线：2 步

1707-77-3

82954-65-2

反应条件：

1.1 Reagents: Lead tetraacetate Solvents: Tetrahydrofuran
1.2 Reagents: Triethylamine , Hydroxyamine hydrochloride Solvents: Methanol
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran

参考文献：

Efficient pathways to (R)- and (S)-5-hydroxymethyl-2-oxazolidinone and some derivatives

Danielmeier, Karsten; et al, Tetrahedron: Asymmetry, 1995, 6(5), 1181-90

合成路线：2 步

1707-77-3

82954-65-2

反应条件：

1.1 Reagents: Lead tetraacetate Solvents: Tetrahydrofuran
1.2 Reagents: Triethylamine , Hydroxyamine hydrochloride Solvents: Methanol
2.1 Reagents: Hydrogen , Ammonia Catalysts: Nickel Solvents: Water

参考文献：

Syntheses and structures of diastereomerically pure 2,6-disubstituted 3-morpholinones

Danklmaier, Johann; et al, Liebigs Annalen der Chemie, 1988, (12), 1149-53

合成路线：2 步

22323-82-6

85-41-6

82954-65-2

反应条件：

1.1 Reagents: Triphenylphosphine , Diethyl azodicarboxylate Solvents: Tetrahydrofuran ; 20 h, rt
2.1 Reagents: Hydrazine Solvents: Methanol , Water ; 4 - 5 h, reflux

参考文献：

Stereochemistry-Controlled Supramolecular Architectures of New Tetrahydroxy-Functionalized Amphiphilic Carbocyanine Dyes

Schade, Boris; et al, Chemistry - A European Journal, 2020, 26(30), 6919-6934

合成路线：2 步

23735-39-9

82954-65-2

反应条件：

1.1 Reagents: Sodium azide Solvents: Dimethylformamide ; 6 h, 60 °C
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 24 h, rt

参考文献：

Design and preparation of a novel prolinamide-based organocatalyst for the solvent-free asymmetric aldol reaction

Martins, Rafaela de S.; et al, Tetrahedron, 2020, 76(5),

合成路线：2 步

57044-24-3

82954-65-2

反应条件：

1.1 Reagents: Sodium azide Catalysts: Tetrabutylammonium bromide Solvents: Dimethylformamide ; 25 °C; 25 °C → 110 °C; overnight, 110 °C; 110 °C → rt
2.1 Reagents: Ammonium chloride Solvents: Ethanol , Water ; 25 °C; 25 °C → 0 °C
2.2 Reagents: Zinc ; < 5 °C; 1 h, 5 °C
2.3 Reagents: Ammonium hydroxide ; basified, 5 °C

参考文献：

Direct conversion of (R)-epichlorohydrin to (S)-3-aminopropane-1,2-diol: an important chiral C-3 building block

Bhavani, Ch; et al, Indian Journal of Chemistry, 2011, (12), 1807-1811

合成路线：2 步

69-65-8

82954-65-2

参考文献：

Helical supramolecular organization of a 1,2-diol appended naphthalene diimide organogelator via an extended intermolecular H-bonding network

Shinde, Sopan Valiba; et al, RSC Advances, 2016, 6(36), 30690-30694

合成路线：2 步

83461-40-9

82954-65-2

反应条件：

1.1 Reagents: Sodium azide Catalysts: Benzyltriethylammonium chloride Solvents: Water ; 8 h, reflux
2.1 Reagents: Disodium sulfide Solvents: Methanol , Water ; 24 h, 55 °C

参考文献：

A practical approach to the synthesis of enantiomerically pure 2,6-disubstituted morpholines under phase transfer catalysis conditions

Albanese, D.; et al, Catalysis Today, 2009, 140(1-2), 100-104

合成路线：3 步

22323-82-6

98-59-9

82954-65-2

反应条件：

1.1 Reagents: Triethylamine Solvents: Dichloromethane ; 8 h, rt
2.1 Reagents: Sodium azide Solvents: Dimethylformamide ; 20 h, 65 °C
3.1 Reagents: Disodium sulfide Solvents: Water ; 16 h, 55 °C

参考文献：

Synthesis of phosphonoglycine backbone units for the development of phosphono peptide nucleic acids

Doboszewski, Bogdan; et al, European Journal of Organic Chemistry, 2013, 2013(22), 4804-4815

合成路线：3 步

51594-55-9

67-64-1

82954-65-2

反应条件：

1.1 Reagents: Boron trifluoride etherate ; 1 h, 0 °C; 0 °C → 40 °C; 1 h, 40 °C
2.1 Reagents: Sodium azide Catalysts: Tetrabutylammonium bromide Solvents: Dimethylformamide ; 25 °C; 25 °C → 110 °C; overnight, 110 °C; 110 °C → rt
3.1 Reagents: Ammonium chloride Solvents: Ethanol , Water ; 25 °C; 25 °C → 0 °C
3.2 Reagents: Zinc ; < 5 °C; 1 h, 5 °C
3.3 Reagents: Ammonium hydroxide ; basified, 5 °C

参考文献：

Direct conversion of (R)-epichlorohydrin to (S)-3-aminopropane-1,2-diol: an important chiral C-3 building block

Bhavani, Ch; et al, Indian Journal of Chemistry, 2011, (12), 1807-1811