79069-51-5 ((S)-2-(BOC-氨基)-3-甲基丁醛,tert-butyl N-[(1S)-1-formyl-2-methyl-propyl]carbamate)

快速询单

结构式：

(S)-2-(BOC-氨基)-3-甲基丁醛MOL文件

CAS号：

79069-51-5

中文名称：

(S)-2-(BOC-氨基)-3-甲基丁醛

英文名称：

tert-butyl N-[(1S)-1-formyl-2-methyl-propyl]carbamate

分子式：

C₁₀H₁₉NO₃

分子量：

201.262763261795

(S)-2-(BOC-氨基)-3-甲基丁醛(79069-51-5)名称与标识符

名称

英文别名：

Carbamic acid, [(1S)-1-formyl-2-methylpropyl]-, 1,1-dimethylethyl ester;Boc-L-Valinal;Tert_butyl(S)-1-Formyl-2-Methylpropylcarbamate;tert-butyl N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate;boc-Val-CHO;Boc-valinal;N-[(1,1-Dimethylethoxy)carbonyl]-L-valinal;N-Boc-L-valinal;N-Boc-Val-H;N-Boc-valinal;N-tert-butoxycarbonyl-L-valinal;SL-55-5;CMLDBU00000315;N-Boc-2(S)-2-amino-3-methyl-butanal;YMNBXYLOSIKZGL-MRVPVSSYSA-N;(S)-tert-Butyl (3-methyl-1-oxobutan-2-yl)carbamate;n-(t-butoxycarbonyl)valinal;(S)-N-(tert-Butoxycarbonyl)valinal;BDBM50137795;tert-butyl N-[(1S)-1-formyl-2-methyl-propyl]carbamate;1,1-Dimethylethyl N-[(1S)-1-formyl-2-methylpropyl]carbamate (ACI);Carbamic acid, (1-formyl-2-methylpropyl)-, 1,1-dimethylethyl ester, (S)- (ZCI);Carbamic acid, [(1S)-1-formyl-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI);((S)-1-Formyl-2-methylpropyl)carbamic acid tert-butyl ester;1,1-Dimethylethyl ((1S)-1-formyl-2-methylpropyl)carbamate;N-tert-Butoxycarbonylvalinal;tert-Butyl-N-[(1S)-1-formyl-2-methyl-propyl]carbamate;MFCD00801211;2(S)-t-butoxycarbonylamino-3-methylbutyraldehyde;(R)-2-(Boc-amino)-3-methylbutanal;1,1-dimethylethyl [(1S)-1-formyl-2-methylpropyl]carbamate;CHEMBL92826;Boc-L-Val-PAM resin (100-200 mesh);Boc-L-valine Merrifield resin 1% DVB, Mesh size 100-200, sub 0.8-1.2 meq/g;CS-0036223;N-(tert-butoxycarbonyl)-(L)-valinal;tert-Butyl 1-formyl-2-methylpropylcarbamate #;AKOS022198853;79069-51-5;tert-butyl (S)-(3-methyl-1-oxobutan-2-yl)carbamate;(S)-tert-Butyl(3-methyl-1-oxobutan-2-yl)carbamate;TS-7036;DTXSID40426063;(S)-(1-Formyl-2-methyl-propyl)-carbamic acid tert-butyl ester;tert-Butyl(S)-1-Formyl-2-Methylpropylcarbamate;Butanal, (S)-2-[(tert.butyloxycarbonyl)amino]-3-methyl-;MFCD00143867;SCHEMBL498987;(S)-2-(Boc-amino)-3-methylbutanal;((S)-1-Formyl-2-methyl-propyl)-carbamic acid tert-butyl ester;

标识符

MDL：

MFCD00143867

InChIKey：

YMNBXYLOSIKZGL-MRVPVSSYSA-N

Inchi：

1S/C10H19NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h6-8H,1-5H3,(H,11,13)/t8-/m1/s1

SMILES：

[C@@H](C=O)(C(C)C)NC(=O)OC(C)(C)C

(S)-2-(BOC-氨基)-3-甲基丁醛(79069-51-5)物化性质

实验特性

LogP : 2.12550
PSA : 55.40000

计算特性

精确分子量 : 201.13600
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 5
同位素质量 : 201.13649347g/mol
重原子数量 : 14
复杂度 : 206
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） : 1.8
拓扑分子极性表面积 : 55.4

(S)-2-(BOC-氨基)-3-甲基丁醛(79069-51-5)推荐厂家更多厂家(14)

公司名称	手机号/电话	联系人	QQ	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	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
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	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

(S)-2-(BOC-氨基)-3-甲基丁醛(79069-51-5)合成路线

合成路线：1 步

87694-52-8

_100%

79069-51-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; -35 °C; 1 h, 0 °C
1.2 Reagents: Potassium sodium tartrate , Potassium bisulfate Solvents: Water ; 30 min, 0 °C

参考文献：

Total synthesis of Myxoprincomide, a secondary metabolite from Myxococcus xanthus

Kohr, Michael; Walt, Christine; Dastbaz, Jan; Mueller, Rolf; Kazmaier, Uli, Organic & Biomolecular Chemistry, 2022, 20(48), 9609-9612

合成路线：1 步

87694-52-8

_100%

79069-51-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 45 min, 0 °C
1.2 Reagents: Sodium sulfate Solvents: Water

参考文献：

Design, synthesis, and biological activity of isosyringolin A

Kitahata, Shun; Chiba, Takuya; Yoshida, Takashi; Ri, Masaki; Iida, Shinsuke; et al, Organic Letters, 2016, 18(9), 2312-2315

合成路线：1 步

58561-04-9

_100%

79069-51-5

反应条件：

1.1 Reagents: Diisobutylaluminum hydride Solvents: Toluene ; 1 h, -78 °C; 30 min, -78 °C
1.2 Reagents: Potassium sodium tartrate Solvents: Methanol , Water ; 2 h

参考文献：

Explorations of an intramolecular route to pyrrolo[3,4-b]isoxazoles: an unexpected retro-Claisen reaction

Jones, Raymond C. F.; Law, Carole C. M.; Elsegood, Mark R. J., ARKIVOC (Gainesville, 2013, (3), 81-97

合成路线：1 步

79069-14-0

_98%

79069-51-5

反应条件：

1.1 Reagents: Oxygen Catalysts: 1-Methylimidazole , 4,4′-Dimethoxy-2,2′-bipyridine , 9-Azabicyclo[3.3.1]non-9-yloxy , Copper(1+), tetrakis(acetonitrile)-, (T-4)-, 1,1,1-trifluoromethanesulfonate (1:… Solvents: Acetonitrile ; 1 h, rt
1.2 Reagents: Water

参考文献：

Copper(I)/ABNO-Catalyzed Aerobic Alcohol Oxidation: Alleviating Steric and Electronic Constraints of Cu/TEMPO Catalyst Systems

Steves, Janelle E.; Stahl, Shannon S., Journal of the American Chemical Society, 2013, 135(42), 15742-15745

合成路线：1 步

58561-04-9

_95%

79069-51-5

反应条件：

1.1 Reagents: Diisobutylaluminum hydride Solvents: Dichloromethane , Hexane ; 20 min, -78 °C; 1.5 h, -78 °C
1.2 Solvents: Water

参考文献：

γ-Amino vinyl sulfoxides in asymmetric synthesis. Synthesis of optically pure α-substituted β-amino nitriles

Alfaro, Ricardo; Yuste, Francisco; Ortiz, Benjamin; Sanchez-Obregon, Ruben; Garcia Ruano, Jose L., Tetrahedron, 2009, 65(1), 357-363

合成路线：1 步

87694-52-8

_92%

79069-51-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Diethyl ether ; 40 min, -40 °C
1.2 Reagents: Sodium sulfate Solvents: Water ; -40 °C → 23 °C; 30 min, 23 °C

参考文献：

Design and Synthesis of Peptidomimetic Severe Acute Respiratory Syndrome Chymotrypsin-like Protease Inhibitors

Ghosh, Arun K.; Xi, Kai; Ratia, Kiira; Santarsiero, Bernard D.; Fu, Wentao; et al, Journal of Medicinal Chemistry, 2005, 48(22), 6767-6771

合成路线：1 步

87694-52-8

_92%

79069-51-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran

参考文献：

Inhibition of human leukocyte elastase by N-substituted peptides containing α,α-difluorostatone residues at P1

Skiles, Jerry W.; Miao, Clara; Sorcek, Ronald; Jacober, Stephen; Mui, Philip W.; et al, Journal of Medicinal Chemistry, 1992, 35(26), 4795-808

合成路线：1 步

58561-04-9

_91%

79069-51-5

反应条件：

1.1 Reagents: Diisobutylaluminum hydride Solvents: Toluene ; -78 °C

参考文献：

New routes towards reutericyclin analogues

Jones, Raymond C. F.; Bullous, James P.; Law, Carole C. M.; Elsegood, Mark R. J., Chemical Communications (Cambridge, 2014, 50(13), 1588-1590

合成路线：1 步

87694-52-8

_90%

79069-51-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 10 min, 0 °C; 20 min, 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 3, cooled

参考文献：

Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides

Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N., Organic & Biomolecular Chemistry, 2011, 9(19), 6566-6574

合成路线：1 步

87694-52-8

_90%

79069-51-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 10 min, 0 °C; 20 min, 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 3, 0 °C

参考文献：

Tin(II) chloride assisted synthesis of N-protected γ-amino β-keto esters through semipinacol rearrangement

Bandyopadhyay, Anupam; Agrawal, Neha; Mali, Sachitanand M.; Jadhav, Sandip V.; Gopi, Hosahudya N., Organic & Biomolecular Chemistry, 2010, 8(21), 4855-4860

合成路线：1 步

110694-59-2

_90%

79069-51-5

反应条件：

1.1 Reagents: 1-Methylpiperazine , Vitride Solvents: Toluene ; rt → 0 °C; 0 °C; 0.5 h, 0 °C
1.2 Solvents: Toluene ; -10 °C; 60 min, -10 °C
1.3 Reagents: Water

参考文献：

A mild and efficient synthesis of chiral N-Boc-α-aminoaldehydes

Hu, Bin; Xiao, Kun; Shen, Jing Kang, Chinese Chemical Letters, 2006, 17(9), 1162-1164

合成路线：1 步

13734-41-3

_87%

79069-51-5

反应条件：

1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dichloromethane ; 60 min, 0 °C
1.2 Reagents: Diisobutylaluminum hydride Solvents: Dichloromethane ; 0 °C; 60 min, -78 °C

参考文献：

Zr-Catalyzed Synthesis of Tetrasubstituted 1,3-Diacylpyrroles from N-Acyl α-Aminoaldehydes and 1,3-Dicarbonyls

Evans, Caria ; Berkey, William J.; Jones, Christopher W. ; France, Stefan, Journal of Organic Chemistry, 2023, 88(13), 8915-8928

合成路线：1 步

87694-52-8

_85%

79069-51-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; -78 °C

参考文献：

Synthesis of densely functionalized pyrrolidinone templates by an intramolecular oxo-Diels-Alder reaction

Murray, William V.; Mishra, Pranab K.; Sun, Sengen; Maden, Amy, Tetrahedron Letters, 2002, 43(41), 7389-7392

合成路线：1 步

87694-52-8

_85%

79069-51-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Diethyl ether ; 20 min, rt
1.2 Reagents: Potassium bisulfate Solvents: Water

参考文献：

Difluoro ketone peptidomimetics suggest a large s1 pocket for Alzheimer's γ-secretase: implications for inhibitor design

Moore, Chad L.; Leatherwood, Dartha D.; Diehl, Thekla S.; Selkoe, Dennis J.; Wolfe, Michael S., Journal of Medicinal Chemistry, 2000, 43(18), 3434-3442

合成路线：1 步

13734-41-3

_84%

79069-51-5

反应条件：

1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dichloromethane ; 60 min, 0 °C; 15 min, 0 °C → -78 °C
1.2 Reagents: Diisobutylaluminum hydride Solvents: Toluene ; 110 min, -78 °C; 45 min, -78 °C
1.3 Reagents: Ethyl acetate
1.4 Reagents: dl-Tartaric acid Solvents: Water ; 15 min, rt

参考文献：

Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics

Ivkovic, Jakov; Jha, Shalinee; Lembacher-Fadum, Christian; Puschnig, Johannes; Kumar, Prashant; et al, Chemistry - A European Journal, 2021, 27(56), 14108-14120