Cas no 87694-52-8 (N-Boc-L-valine N'-methoxy-N'-methylamide)

N-Boc-L-valine N'-methoxy-N'-methylamide structure
87694-52-8 structure
Product Name:N-Boc-L-valine N'-methoxy-N'-methylamide
CAS No:87694-52-8
MF:C12H24N2O4
MW:260.329963684082
MDL:MFCD00151897
CID:708902
PubChem ID:24869466
Update Time:2024-10-26

N-Boc-L-valine N'-methoxy-N'-methylamide Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,N-[(1S)-1-[(methoxymethylamino)carbonyl]-2-methylpropyl]-, 1,1-dimethylethylester
    • BOC-L-LEUCINE N,O-DIMETHYLHYDROXAMIDE
    • Boc-val-n(och3)ch3
    • N-(tert-Butoxycarbonyl)-L-valine N -methoxy-N -methylamide
    • N-(tert-Butoxycarbonyl)-L-valine N′-methoxy-N′-methylamide
    • N-Boc-L-valine N'-methoxy-N'-methylamide
    • tert-butyl (S)-1-(N-methoxy-N-methylcarbamoyl)-2-methylpropylcarbamate
    • (S)-tert-butyl 1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-ylcarbamate
    • BOC-LEU-N(OME)ME
    • BOC-LEU-NME(OME)
    • BOC-L-VALINE N,O-DIMETHYLHYDROXAMIDE
    • BOC-L-VALINE N-METHOXY-N-METHYL AMIDE
    • Boc-Val-N(Me)OMe
    • N-(tert-butoxycarbonyl)-L-vali
    • tert-butyl (1S)-1[[methoxy(methyl)amino]carbonyl]-2-methylpropylcarbamate
    • tert-butyl {(S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl}carbamate
    • (S)-2-(Boc-amino)-N-methoxy-N,3-dimethylbutanamide
    • N-(tert-Butoxycarbonyl)-L-valine N'-methoxy-N'-methylamide
    • tert-butyl (S)-(1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
    • TERT-BUTYL N-[(1S)-1-[METHOXY(METHYL)CARBAMOYL]-2-METHYLPROPYL]CARB
    • 1,1-Dimethylethyl N-[(1S)-1-[(methoxymethylamino)carbonyl]-2-methylpropyl]carbamate (ACI)
    • Carbamic acid, [(1S)-1-[(methoxymethylamino)carbonyl]-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI)
    • Carbamic acid, [1-[(methoxymethylamino)carbonyl]-2-methylpropyl]-, 1,1-dimethylethyl ester, (S)- (ZCI)
    • (S)-tert-Butyl (1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
    • AS-74502
    • N-(tert-Butoxycarbonyl)-L-valine N'-methoxy-N'-methylamide, 97%
    • (S)-[1-(Methoxy-methyl-carbamoyl)-2-methyl-propyl]-carbamic acid-tert-butyl ester
    • N-alpha-t-Butyloxycarbonyl-N-methyl-N-methoxy-L-valine amide
    • RRBFCGUIFHFYQK-VIFPVBQESA-N
    • (S)-tert-Butyl(1-(methoxy(methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
    • N2-{[(1,1-dimethylethyl)oxy]carbonyl}-N1-methyl-N1-(methyloxy)-L-valinamide
    • AKOS024386612
    • MFCD00151897
    • TERT-BUTYL N-[(1S)-1-[METHOXY(METHYL)CARBAMOYL]-2-METHYLPROPYL]CARBAMATE
    • SCHEMBL1655475
    • 87694-52-8
    • Carbamic acid,[(1S)-1-[(methoxymethylamino)carbonyl]-2-methylpropyl]-,1,1-dimethylethyl ester
    • W17577
    • tert-Butyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
    • CS-0060835
    • MDL： MFCD00151897
    • Inchi： 1S/C12H24N2O4/c1-8(2)9(10(15)14(6)17-7)13-11(16)18-12(3,4)5/h8-9H,1-7H3,(H,13,16)/t9-/m0/s1
    • InChI Key： RRBFCGUIFHFYQK-VIFPVBQESA-N
    • SMILES： [C@@H](C(C)C)(NC(=O)OC(C)(C)C)C(=O)N(C)OC

Computed Properties

  • Exact Mass: 260.17400
  • Monoisotopic Mass: 260.17360725g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 297
  • 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
  • Topological Polar Surface Area: 67.9
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.029?g/mL?at 25?°C(lit.)
  • Boiling Point: 248?°C(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.456(lit.)
  • PSA: 67.87000
  • LogP: 1.94640
  • Optical Activity: [α]23/D ?18.5°, c =?1 in methanol
  • Solubility: Not determined

N-Boc-L-valine N'-methoxy-N'-methylamide Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3

N-Boc-L-valine N'-methoxy-N'-methylamide 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%

N-Boc-L-valine N'-methoxy-N'-methylamide Pricemore >>

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N-Boc-L-valine N'-methoxy-N'-methylamide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 4-Methylmorpholine ,  1-Hydroxybenzotriazole ,  1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dichloromethane ;  35 min, -3 °C; -3 °C → rt; 19 h, rt; 40 min, rt
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Design, synthesis, and biological activity of isosyringolin A
Kitahata, Shun; et al, Organic Letters, 2016, 18(9), 2312-2315

Production Method 2

Reaction Conditions
1.1 Reagents: Diisopropylethylamine ,  Deoxo-Fluor Solvents: Dichloromethane ;  0.25 - 0.5 h, 0 °C
1.2 Solvents: Dichloromethane ;  0.25 h, 0 °C; 0 °C → rt; 6 h, rt
Reference
[Bis(2-methoxyethyl)amino]sulfur trifluoride, the Deoxo-Fluor reagent: application toward one-flask transformations of carboxylic acids to amides
White, Jonathan M.; et al, Journal of Organic Chemistry, 2004, 69(7), 2573-2576

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane ,  Water ;  30 min, 0 °C; 0 °C → rt; overnight, rt
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water ;  pH 2 - 3, cooled
1.3 Reagents: 4-Methylmorpholine ,  1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dichloromethane ;  15 min, -15 °C; 2 h, rt
1.4 Reagents: Hydrochloric acid Solvents: Water ;  cooled
Reference
Total Synthesis of Syringolin A
Dai, Chunhui; et al, Organic Letters, 2010, 12(15), 3453-3455

Production Method 4

Reaction Conditions
Reference
A facile approach to trans-4,5-pyrrolidine lactam and application in the synthesis of nemonapride and streptopyrrolidine
Huang, Wei; et al, Tetrahedron, 2011, 67(40), 7829-7837

Production Method 5

Reaction Conditions
1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dichloromethane ;  rt; 1.25 h, rt
1.2 Solvents: Dichloromethane ;  overnight, rt
Reference
Heterocyclic Cathinones as Inhibitors of Kynurenine Aminotransferase II-Design, Synthesis, and Evaluation
Maryska, Michal; et al, Pharmaceuticals, 2021, 14(12),

Production Method 6

Reaction Conditions
1.1 Reagents: Diisopropylethylamine ,  BOP reagent Solvents: Dichloromethane ;  overnight, rt
Reference
Radiolabeled antagonistic bombesin peptidomimetics for tumor targeting
Valverde, Ibai E.; et al, Journal of Labelled Compounds and Radiopharmaceuticals, 2014, 57(4), 275-278

Production Method 7

Reaction Conditions
1.1 Reagents: Diisopropylethylamine ,  O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate Solvents: Dichloromethane ;  rt
Reference
α-Aminoxy acids as building blocks for the oxime and hydroxylamine pseudopeptide links. Application to the synthesis of human elastase inhibitors
Vanderesse, Regis; et al, Journal of Peptide Science, 2003, 9(5), 282-299

Production Method 8

Reaction Conditions
1.1 Reagents: Diisopropylethylamine ,  PyBOP Solvents: Dimethylformamide ;  0.5 h, rt
1.2 Reagents: Diisopropylethylamine Solvents: Dimethylformamide ;  overnight, rt
Reference
Enzymatic Macrocyclization of 1,2,3-Triazole Peptide Mimetics
Oueis, Emilia; et al, Angewandte Chemie, 2016, 55(19), 5842-5845

Production Method 9

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Methanol ;  16 h, rt
1.2 Reagents: Triethylamine ,  1-Hydroxybenzotriazole ,  1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dichloromethane ;  10 min, rt
1.3 16 h, rt
Reference
Convenient Synthesis of Alternatively Bridged Tryptophan Ketopiperazines and Their Activities against Trypanosomatid Parasites
Cockram, Peter E.; et al, ChemMedChem, 2022, 17(4),

Production Method 10

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  5 min; 24 h, rt
Reference
An efficient conversion of carboxylic acids into Weinreb amides
Katritzky, Alan R.; et al, ARKIVOC (Gainesville, 2002, (11), 39-44

Production Method 11

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ;  rt; 6 - 12 h, reflux
2.1 Solvents: Tetrahydrofuran ;  5 min; 24 h, rt
Reference
An efficient conversion of carboxylic acids into Weinreb amides
Katritzky, Alan R.; et al, ARKIVOC (Gainesville, 2002, (11), 39-44

Production Method 12

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Methanol ;  16 h, rt
2.1 Reagents: Triethylamine ,  1-Hydroxybenzotriazole ,  1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dichloromethane ;  10 min, rt
2.2 16 h, rt
Reference
Convenient Synthesis of Alternatively Bridged Tryptophan Ketopiperazines and Their Activities against Trypanosomatid Parasites
Cockram, Peter E.; et al, ChemMedChem, 2022, 17(4),

N-Boc-L-valine N'-methoxy-N'-methylamide Raw materials

N-Boc-L-valine N'-methoxy-N'-methylamide Preparation Products

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