Cas no 85642-13-3 (BOC-ALA-NH2)

BOC-ALA-NH2 structure
BOC-ALA-NH2 structure
Product Name:BOC-ALA-NH2
CAS No:85642-13-3
MF:C8H16N2O3
MW:188.224242210388
MDL:MFCD03701447
CID:60903
PubChem ID:7015295
Update Time:2024-10-26

BOC-ALA-NH2 Chemical and Physical Properties

Names and Identifiers

    • Boc-L-alanine amide
    • Boc-Ala-NH2
    • N-tert-Butoxycarbonyl-L-alanine amide
    • Boc-Beta-ala-NH2
    • N-Boc-L-alaninamide
    • tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
    • 2-(tert-butoxycarbonylamino)propionamide
    • AmbotzBAA5310
    • BocNH-Ala-NH2
    • N-(tert-butoxycarbonyl)lalanine amide
    • N-(tert-butoxycarbonyl)-S-alaninamide
    • NH2-Ala-NHBoc
    • 1,1-Dimethylethyl N-[(1S)-2-amino-1-methyl-2-oxoethyl]carbamate (ACI)
    • Carbamic acid, (2-amino-1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)- (ZCI)
    • Carbamic acid, [(1S)-2-amino-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)
    • ((S)-1-Carbamoylethyl)carbamic acid tert-butyl ester
    • Boc-L-alaninamide
    • N-(tert-Butoxycarbonyl)alaninamide
    • tert-Butyl ((1S)-2-amino-1-methyl-2-oxoethyl)carbamate
    • tert-Butyl ((S)-1-amino-1-oxopropan-2-yl)carbamate
    • tert-Butyl N-((1S)-2-amino-1-methyl-2-oxoethyl)carbamate
    • tert-Butyl N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamate
    • 85642-13-3
    • tert-Butyl[(1S)-2-amino-1-methyl-2-oxoethyl]carbamate
    • (S)-tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate
    • SCHEMBL1888284
    • (S)-Boc-alaninamide
    • tert-butyl N-[(1S)-1-carbamoylethyl]carbamate
    • N-(tert-Butoxycarbonyl)alaninamide; tert-Butyl ((S)-1-amino-1-oxopropan-2-yl)carbamate 98%
    • I10616
    • MFCD03701447
    • DS-13418
    • DTXSID40426725
    • tert-butyl(1S)-2-amino-1-methyl-2-oxoethylcarbamate
    • CS-0008349
    • N-t-Butyloxycarbonyl-L-alanine amide
    • GZKKSKKIABUUCX-YFKPBYRVSA-N
    • Carbamic acid, [(1S)-2-amino-1-methyl-2-oxoethyl]-, 1,1-dimethylethylester
    • tert-butyl (1S)-2-amino-1-methyl-2-oxoethylcarbamate
    • AKOS016842884
    • (S)-tert-butyl 1-amino-1-oxopropan-2-ylcarbamate
    • EN300-133933
    • tert-Butyl [(1S)-2-amino-1-methyl-2-oxoethyl]carbamate
    • ((S)-1-carbamoyl-ethyl)carbamic acid tert-butyl ester
    • BOC-ALA-NH2
    • MDL： MFCD03701447
    • Inchi： 1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1
    • InChI Key： GZKKSKKIABUUCX-YFKPBYRVSA-N
    • SMILES： N([C@@H](C)C(=O)N)C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 188.11600
  • Monoisotopic Mass: 188.11609238g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 81.4?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.081
  • Boiling Point: 343.1 °C at 760 mmHg
  • Flash Point: 161.3 °C
  • Refractive Index: 1.463
  • Water Partition Coefficient: Soluble in water or 1% acetic acid.
  • PSA: 81.42000
  • LogP: 1.47610

BOC-ALA-NH2 Security Information

BOC-ALA-NH2 Customs Data

  • HS CODE：2924199090
  • Customs Data：

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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BOC-ALA-NH2 Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium hydroxide Solvents: Methanol ,  Water ;  overnight, rt
Reference
Synthesis, structure-activity analysis, and biological evaluation of sanguinamide B analogues
Wahyudi, Hendra; et al, Journal of Organic Chemistry, 2012, 77(23), 10596-10616

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: 1,4-Dioxane ,  Water ;  16 - 18 h, rt
2.1 Reagents: Ethyl chloroformate Solvents: Dichloromethane ;  -10 °C
2.2 Reagents: Ammonia Solvents: Dichloromethane
Reference
Synthesis of O-Me Ulongamide B and O-Me Ulongamide C, natural modified cyclodepsipeptides
Alvarado, Cuauhtemoc; et al, Synthetic Communications, 2013, 43(7), 993-1006

Production Method 3

Reaction Conditions
1.1 Solvents: Ethanol ;  75 min, rt
Reference
New photoreactive cleavable reagents with trifluoromethyldiazirine group
McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

Production Method 4

Reaction Conditions
1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Dichloromethane ;  overnight, rt
2.1 Reagents: Ammonia Solvents: Acetonitrile ;  4 - 5 h
Reference
A simple synthesis of imide-dipeptides
Ke, Damei; et al, Synlett, 2009, (9), 1506-1510

Production Method 5

Reaction Conditions
1.1 Solvents: Methanol ,  Benzene ;  30 min, rt
2.1 Reagents: Ammonium hydroxide Solvents: Methanol ,  Water ;  overnight, rt
Reference
Synthesis, structure-activity analysis, and biological evaluation of sanguinamide B analogues
Wahyudi, Hendra; et al, Journal of Organic Chemistry, 2012, 77(23), 10596-10616

Production Method 6

Reaction Conditions
1.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ;  rt → 0 °C
1.2 Reagents: Dicyclohexylcarbodiimide ;  1 h, 0 °C
1.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  1 d, 0 °C
2.1 Solvents: Ethanol ;  75 min, rt
Reference
New photoreactive cleavable reagents with trifluoromethyldiazirine group
McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

Production Method 7

Reaction Conditions
1.1 Reagents: Sulfur dioxide Solvents: Water ;  1.5 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  15 min, rt
2.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ;  rt → 0 °C
2.2 Reagents: Dicyclohexylcarbodiimide ;  1 h, 0 °C
2.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  1 d, 0 °C
3.1 Solvents: Ethanol ;  75 min, rt
Reference
New photoreactive cleavable reagents with trifluoromethyldiazirine group
McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

Production Method 8

Reaction Conditions
1.1 Reagents: Triethylamine ,  PyBOP Solvents: Dimethylformamide ;  0 °C; 17 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  rt
2.1 Solvents: Tetrahydrofuran ,  Water ;  2 d, rt
2.2 Reagents: Sodium chloride Solvents: Water ;  rt
Reference
Solid-phase total synthesis of Yaku'amide B enabled by traceless Staudinger ligation
Itoh, Hiroaki ; et al, Angewandte Chemie, 2020, 59(11), 4564-4571

Production Method 9

Reaction Conditions
1.1 Reagents: Ammonium hydroxide Solvents: Methanol ,  Water ;  overnight, rt
Reference
Design, synthesis and anticancer mechanistic studies of linked azoles
Islam, Amirul Md.; et al, MedChemComm, 2015, 6(2), 300-305

Production Method 10

Reaction Conditions
1.1 Reagents: Triethylamine ,  Ethyl chloroformate Solvents: Tetrahydrofuran ;  -15 °C; 25 min, -15 °C
1.2 Reagents: Ammonia Solvents: Water ;  3 h, 0 °C
1.3 Reagents: Potassium bisulfate Solvents: Water ;  pH 2 - 3
Reference
Design, synthesis and cytotoxic evaluation of a library of oxadiazole-containing hybrids
Camacho, Cristian M.; et al, RSC Advances, 2021, 11(47), 29741-29751

Production Method 11

Reaction Conditions
1.1 Reagents: 4-Methylmorpholine ,  Ethyl chloroformate Solvents: Tetrahydrofuran ;  20 min, -10 °C
1.2 Reagents: Ammonia Solvents: Water ;  4 h
Reference
Synthesis of Boc-amino tetrazoles derived from α-amino acids
Sureshbabu, Vommina V.; et al, Synthetic Communications, 2009, 39(3), 395-406

Production Method 12

Reaction Conditions
1.1 Reagents: Pyridine ,  Ammonium carbonate ,  Di-tert-butyl dicarbonate Solvents: 1,4-Dioxane ;  6 h, rt
Reference
Synthesis of N-[2-(1H-indol-3-yl)ethyl]-2-acetylthiazole-4-caboxamide and its analogues
Li, Duo; et al, Youji Huaxue, 2010, 30(2), 238-243

Production Method 13

Reaction Conditions
1.1 Reagents: Ammonia Solvents: Acetonitrile ;  4 - 5 h
Reference
A simple synthesis of imide-dipeptides
Ke, Damei; et al, Synlett, 2009, (9), 1506-1510

Production Method 14

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ,  Water ;  16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2
Reference
Total synthesis of the cyclic dodecapeptides Wewakazole and Wewakazole B
Inman, Martyn; et al, Organic Letters, 2017, 19(13), 3454-3457

Production Method 15

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ,  Water ;  16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2
Reference
Total synthesis of the post-translationally modified polyazole peptide antibiotic Goadsporin
Dexter, Hannah L.; et al, Angewandte Chemie, 2017, 56(11), 3069-3073

Production Method 16

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Methanol ,  Benzene ;  rt; 1 h, rt
2.1 Reagents: Ammonium hydroxide Solvents: Methanol ,  Water ;  overnight, rt
Reference
Design, synthesis and anticancer mechanistic studies of linked azoles
Islam, Amirul Md.; et al, MedChemComm, 2015, 6(2), 300-305

Production Method 17

Reaction Conditions
1.1 Solvents: Methanol ,  Benzene ,  Hexane ;  rt; 30 min, rt
2.1 Reagents: Ammonium hydroxide Solvents: Methanol ,  Water ;  overnight, rt
Reference
Mechanistic Studies of Sanguinamide B Derivatives: A Unique Inhibitor of Eukaryotic Ribosomes
Tantisantisom, Worawan; et al, Organic Letters, 2013, 15(18), 4638-4641

Production Method 18

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Dimethylformamide ;  rt; 24 h, rt
2.1 Reagents: Ammonium hydroxide Solvents: Tetrahydrofuran ;  24 h, rt
Reference
Parallel Synthesis of An Oligomeric Imidazole-4,5-dicarboxamide Library
Xu, Zhigang; et al, Journal of Combinatorial Chemistry, 2010, 12(2), 248-254

Production Method 19

Reaction Conditions
1.1 Solvents: Chloroform ;  2 d, rt
2.1 Reagents: Hydrochloric acid Solvents: Methanol ,  Water ;  3 d, rt
3.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ;  rt → 0 °C
3.2 Reagents: Dicyclohexylcarbodiimide ;  1 h, 0 °C
3.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  1 d, 0 °C
4.1 Solvents: Ethanol ;  75 min, rt
Reference
New photoreactive cleavable reagents with trifluoromethyldiazirine group
McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

Production Method 20

Reaction Conditions
1.1 Reagents: Nitric oxide Solvents: Water ;  -10 °C
2.1 Solvents: Chloroform ;  2 d, rt
3.1 Reagents: Hydrochloric acid Solvents: Methanol ,  Water ;  3 d, rt
4.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ;  rt → 0 °C
4.2 Reagents: Dicyclohexylcarbodiimide ;  1 h, 0 °C
4.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  1 d, 0 °C
5.1 Solvents: Ethanol ;  75 min, rt
Reference
New photoreactive cleavable reagents with trifluoromethyldiazirine group
McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

Production Method 21

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide
2.1 Reagents: Nitric oxide Solvents: Water ;  -10 °C
3.1 Solvents: Chloroform ;  2 d, rt
4.1 Reagents: Hydrochloric acid Solvents: Methanol ,  Water ;  3 d, rt
5.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ;  rt → 0 °C
5.2 Reagents: Dicyclohexylcarbodiimide ;  1 h, 0 °C
5.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  1 d, 0 °C
6.1 Solvents: Ethanol ;  75 min, rt
Reference
New photoreactive cleavable reagents with trifluoromethyldiazirine group
McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

Production Method 22

Reaction Conditions
1.1 Solvents: 1,4-Dioxane ,  Water ;  2 d, rt
1.2 Reagents: Sodium chloride Solvents: Ethyl acetate ,  Water ;  rt
Reference
Solid-phase total synthesis of Yaku'amide B enabled by traceless Staudinger ligation
Itoh, Hiroaki ; et al, Angewandte Chemie, 2020, 59(11), 4564-4571

Production Method 23

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ,  Water ;  2 d, rt
1.2 Reagents: Sodium chloride Solvents: Water ;  rt
Reference
Solid-phase total synthesis of Yaku'amide B enabled by traceless Staudinger ligation
Itoh, Hiroaki ; et al, Angewandte Chemie, 2020, 59(11), 4564-4571

BOC-ALA-NH2 Raw materials

BOC-ALA-NH2 Preparation Products

BOC-ALA-NH2 Related Literature

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