N-Boc-L-aspartic acid supplier

Name
Boc-Asp-OH
EINECS 237-294-7
CAS No. 13726-67-5
Article Data40
CAS DataBase
Density 1.302 g/cm³
Solubility
Melting Point 116-118 °C
Formula C₉H₁₅NO₆
Boiling Point 377.4 °C at 760 mmHg
Molecular Weight 233.221
Flash Point 182.1 °C
Transport Information
Appearance white crystalline powder
Safety 26-36
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Boc-Asp-OH;N-(tert-Butoxycarbonyl)-L-aspartic acid;
PSA 112.93000
LogP 0.82990

Synthetic route

: 116596-40-8
Boc-β-3-picolyl-L-aspartic acid

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In water; acetic acid for 0.5h;	100%

: 7536-58-5
BOC-L-aspartic acid 4-benzyl ester

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With magnesium; hydrazinium monoformate In methanol at 25℃; for 1h;	95%
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 4h; Schlenk technique;	93%
With hydrogen In ethanol for 1h;	80%

: 73821-95-1
Boc-Asp(O-cyclohexyl)-OH

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With magnesium; hydrazinium monoformate In methanol at 25℃; for 2h;	93%

: 56-84-8
L-Aspartic acid

: 24424-99-5
di-tert-butyl dicarbonate

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 20℃; Cooling with ice;	85%
Stage #1: L-Aspartic acid With sodium hydroxide In 1,4-dioxane; water Stage #2: di-tert-butyl dicarbonate In 1,4-dioxane; water at 20℃;	85%
With sodium hydroxide In 1,4-dioxane; water at 10 - 20℃;	78%

: 56-84-8
L-Aspartic acid

: tert-butyl (2,4-dioxo-3-azaspiro[5,5]undecan-3-yl) carbonate

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With sodium hydroxide In water; acetonitrile at 25℃; for 15h;	80%

: 56-84-8
L-Aspartic acid

: 75844-68-7
tert-butyl 2-oxo-1,3-oxazole-3(2H)-carboxylate

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With dmap In 1,4-dioxane; water for 15h; Ambient temperature;	77%

: 56-84-8
L-Aspartic acid

: dimethylsulfonium methylsulfate

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With triethylamine In water Ambient temperature;	75%

: 24424-99-5
di-tert-butyl dicarbonate

: 5269-42-1
L-Aspartic acid bis(trimethylsilyl) ester

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
In tetrahydrofuran at 23℃;	67%

: 56-84-8
L-Aspartic acid

: 98015-52-2
1,2,2,2-Tetrachloroethyl tert-Butyl Carbonate

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane; water at 20℃; for 6h;	60%
With triethylamine In 1,4-dioxane; water at 20℃; for 24h;	60%
With triethylamine In 1,4-dioxane; water	60%

: 149636-02-2
N-Boc-L-aspartic acid (β-benzyl) α-phenacyl ester

A: 13726-67-5
Boc-Asp-OH

B: Boc-Asp-OPac

Conditions

Conditions	Yield
With hydrogen In ethyl acetate Yields of byproduct given;	A n/a B 40%

: 1070-19-5
N-(tert-butyloxycarbonyl) azide

: 56-84-8
L-Aspartic acid

: 13726-67-5
Boc-Asp-OH

: 18595-55-6
tert-butyl (quinolin-8-yl)carbonate

: 56-84-8
L-Aspartic acid

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl-formamide

: 56-84-8
L-Aspartic acid

: 18595-34-1
tert-butyl fluoroformate

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane

: 56-84-8
L-Aspartic acid

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane; water Ambient temperature;

: 1043921-06-7
BOC-asn-PNP

A: 100-02-7
4-nitro-phenol

B: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With (S)-2-Octanol; borate buffer; water; Bis-2-octyl sodium sulphosuccinate; 1H-imidazole In n-heptane at 25℃; Rate constant; kL; pH= 8.0; other racemic or chiral surfactant and cosurfactants and other proportions of water and surfactant;

: 98115-12-9
Nα,Nca-di-tert-butyloxycarbonylasparagine

A: 4248-19-5
tert-butyl carbamate

B: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With sodium hydroxide

: 156589-19-4
(S)-2-tert-Butoxycarbonylamino-succinic acid 4-[2-(4-acetyl-2-nitro-phenyl)-ethyl] ester

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 0.0833333h; Product distribution; reactions of derivatives under var. conditions;

: 56357-42-7
N-2-(tert-butoxycarbonyl)-L-asparaginyl-L-alanine

A: 13726-67-5
Boc-Asp-OH

B: (S)-2-((S)-3-tert-Butoxycarbonylamino-2,5-dioxo-pyrrolidin-1-yl)-propionic acid

C: Boc-Asp-Ala-OH

D: Boc-Asp(Ala-OH)-OH

Conditions

Conditions	Yield
With barium dihydroxide at 37℃; for 40h; Hydrolysis; rearrangement; Further byproducts given. Title compound not separated from byproducts;

...Expand

: C19H30N2O7S

: 13726-67-5
Boc-Asp-OH

: 24424-99-5
di-tert-butyl dicarbonate

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 80 percent / Et3N / acetonitrile / 5 h / 5 °C 2: 75 percent / Et3N / H2O / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 5 h / 0 - 30 °C 2: sodium hydroxide / acetonitrile; water / 15 h / 25 °C View Scheme

: 116596-38-4
Boc-Asp(O(3-Pic))-O(3-Pic)

: 13726-67-5
Boc-Asp-OH

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiOH / acetone; H2O 2: 100 percent / H2 / 10percent Pd/C / acetic acid; H2O / 0.5 h View Scheme

: 13726-67-5
Boc-Asp-OH

: 3182-93-2
(L)-phenylalanine ethyl ester hydrochloride

: C30H41N3O7

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	100%

: 13726-67-5
Boc-Asp-OH

: 56-84-8
L-Aspartic acid

Conditions

Conditions	Yield
With tetradecyl(trihexyl)phosphonium bistriflamide; trifluoroacetic acid at 130℃; for 0.166667h; Ionic liquid;	99%
at 130℃; for 1h;	81%

: 13726-67-5
Boc-Asp-OH

: 74-88-4
methyl iodide

: 130622-08-1, 55747-84-7
dimethyl N-tert-butoxycarbonyl-L-aspartate

Conditions

Conditions	Yield
With sodium chloride; potassium carbonate In water	99%
Stage #1: Boc-Asp-OH With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Inert atmosphere; Cooling with ice; Stage #2: methyl iodide In N,N-dimethyl-formamide at 0 - 20℃; for 1.5h; Inert atmosphere;	8.5 g

: 13726-67-5
Boc-Asp-OH

: 212555-23-2
(2,4,6-trimethoxyphenyl)methanethiol

: 1234549-10-0
S,S'-bis(2,4,6-trimethoxybenzyl) N-tert-butoxycarbonyl-L-dithioaspartate

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 1h;	99%

: 2016-42-4
tetradecylamine

: 13726-67-5
Boc-Asp-OH

: N-Boc-N’,N’’-di(myristoyl)-L-aspartamide

Conditions

Conditions	Yield
Stage #1: Boc-Asp-OH With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide Stage #2: tetradecylamine In N,N-dimethyl-formamide	97%

: 13726-67-5
Boc-Asp-OH

: 83-48-7
Stigmasterol

: N-Boc-aspartyl stigmasterol ester

Conditions

Conditions	Yield
Stage #1: Boc-Asp-OH With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0℃; for 1h; Stage #2: Stigmasterol In dichloromethane at 0 - 25℃; for 24h;	95.8%

: 13726-67-5
Boc-Asp-OH

: 91240-51-6, 120409-48-5, 30750-74-4
N-tert-butyloxycarbonylaspartic acid anhydride

Conditions

Conditions	Yield
With diisopropyl-carbodiimide In ethyl acetate for 2h;	95%
With dicyclohexyl-carbodiimide In ethyl acetate at 0 - 20℃; for 25h;	94%
With dicyclohexyl-carbodiimide In ethyl acetate
With dicyclohexyl-carbodiimide In ethyl acetate Cyclization;
With (2-chloropropyl)dimethylamine hydrochloride In tetrahydrofuran at 20℃; for 4h;

: 2016-57-1
1-aminodecane

: 13726-67-5
Boc-Asp-OH

: ((S)-1,2-Bis-decylcarbamoyl-ethyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In acetonitrile for 3h; Ambient temperature;	94%

: 111-26-2
hexan-1-amine

: 13726-67-5
Boc-Asp-OH

: ((S)-1,2-Bis-hexylcarbamoyl-ethyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In acetonitrile for 3h; Ambient temperature;	93%

: 111-86-4
n-Octylamine

: 13726-67-5
Boc-Asp-OH

: N-Boc-L-Asp-dioctylamide

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane	92%
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In acetonitrile for 3h; Ambient temperature;	90%

: 13726-67-5
Boc-Asp-OH

: 30556-86-6
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylamine

: [(S)-1,2-Bis-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane	92%
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In acetonitrile for 3h; Ambient temperature;	66%

: 13726-67-5
Boc-Asp-OH

: 103-49-1
dibenzylamine

: 219959-90-7
(1,2-bis-dibenzylcarbamoyl-ethyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 20h;	92%

: 13726-67-5
Boc-Asp-OH

: 100-46-9
benzylamine

: C23H29N3O4

Conditions

Conditions	Yield
Stage #1: Boc-Asp-OH With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: benzylamine With triethylamine In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 24h;	91%

: 13726-67-5
Boc-Asp-OH

: 401894-77-7
tris[(benzyloxy)methyl]aminomethane

: [1,2-bis-(2-benzyloxy-1,1-bis-benzyloxymethyl-ethylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl acetamide at 20℃; for 15h;	90.3%

: 13726-67-5
Boc-Asp-OH

: 107-18-6
allyl alcohol

: 88224-27-5
N-tert-Butoxycarbonyl-L-asaraginsaeure-α-allylester

Conditions

Conditions	Yield
With CLEA-Alcalase In tert-butyl methyl ether at 50℃; for 16h; Molecular sieve;	89%

: 143-27-1
hexadecylamine

: 13726-67-5
Boc-Asp-OH

: 229467-48-5
(1,2-bis-hexadecylcarbamoyl-ethyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With dmap; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; 1-hydroxybenzotriazol-hydrate In chloroform; N,N-dimethyl-formamide at 20℃; for 3h;	88%
With dmap; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

: 2916-68-9
2-(Trimethylsilyl)ethanol

: 13726-67-5
Boc-Asp-OH

: 123836-70-4
N-(tert-butyloxycarbonyl)-L-aspartic acid α-(trimethylsilyl)ethyl ester

Conditions

Conditions	Yield
With CLEA-Alcalase In tert-butyl methyl ether at 50℃; for 16h; Molecular sieve;	88%

: 13726-67-5
Boc-Asp-OH

: 2577-46-0, 18869-44-8, 42271-58-9, 81084-74-4, 107998-45-8, 118878-53-8
(2S,3R)-2-amino-3-methylpentanoate methyl

: (2S,3R)-2-((S)-2-tert-Butoxycarbonylamino-3-carboxy-propionylamino)-3-methyl-pentanoic acid methyl ester

Conditions

Conditions	Yield
for 1h;	86%

: 13726-67-5
Boc-Asp-OH

: 132711-91-2
3,3,4,4,5,5,6,6,6-nonafluorohexyl-1-amine

: 1025018-76-1
C21H23F18N3O4

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane	86%

: 13726-67-5
Boc-Asp-OH

: 2791-84-6, 19898-41-0, 120538-51-4
D-glutamic acid dibenzyl ester p-toluenesufonate salt

: C47H53N3O12

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; O‐(1H‐benzotriazol‐1‐yl)‐N,N,N′,N′‐tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 20℃; for 16h;	86%

: 13726-67-5
Boc-Asp-OH

: 109-78-4
3-Hydroxypropionitrile

: 156589-21-8
2-tert-butoxycarbonylamino-succinic acid bis(2-cyano-ethyl) ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane 2 h, 0 deg C and room t. overnight;	85%

: 13726-67-5
Boc-Asp-OH

: 2450-71-7
Propargylamine

: 1253298-36-0
(1,2-bis-prop-2-ynylcarbamoylethyl)carbamic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: Boc-Asp-OH With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide In dichloromethane Cooling with ice; Stage #2: Propargylamine With triethylamine In dichloromethane	85%
Stage #1: Boc-Asp-OH With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h; Stage #2: Propargylamine In dichloromethane at 0 - 20℃; for 24h; Inert atmosphere;

: 75-89-8
2,2,2-trifluoroethanol

: 13726-67-5
Boc-Asp-OH

: 360786-49-8
Boc-Asp-OCH2CF3

Conditions

Conditions	Yield
With dmap; triethylamine; dicyclohexyl-carbodiimide In butan-1-ol at 20℃; pH=8 - 9;	84%

: 64-17-5
ethanol

: 13726-67-5
Boc-Asp-OH

: 86938-08-1
Boc-Aspartic α ethyl ester

Conditions

Conditions	Yield
With ethylenediaminetetraacetic acid; rac-cysteine; papain In dichloromethane at 37℃; for 8h;	83%
papain on Sepharose In dichloromethane at 37℃; for 18h;	73%

: 13726-67-5
Boc-Asp-OH

: 2462-31-9
benzyl 2-aminoacetate hydrochloride

: Boc-Asu-Gly-OBn

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 2h; Acylation; cyclization;	83%

: 13552-87-9
L-aspartic acid diethyl ester

: 13726-67-5
Boc-Asp-OH

: C25H41N3O12

Conditions

Conditions	Yield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In ethyl acetate; N,N-dimethyl-formamide for 72h;	83%
With benzotriazol-1-ol; dicyclohexyl-carbodiimide

N-Boc-L-aspartic acid Specification

The N-Boc-L-aspartic acid, with the CAS registry number 13726-67-5, is also known as . It belongs to the product categories of Amino Acid Derivatives; Aspartic Acid [Asp, D]; Boc-Amino Acids and Derivative; Amino Acids; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. Its EINECS registry number is 237-294-7. This chemical's molecular formula is C₉H₁₅NO₆ and molecular weight is 233.2185. Its IUPAC name is called 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid. The product should be sealed and stored in cool, dry and well-ventilated place. This chemical is white to off-white crystalline powder.

Physical properties of N-Boc-L-aspartic acid: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): -1.89; (3)ACD/LogD (pH 7.4): -3.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 52.16 cm³; (13)Molar Volume: 179 cm³; (14)Surface Tension: 51.1 dyne/cm; (15)Density: 1.302 g/cm³; (16)Flash Point: 182.1 °C; (17)Enthalpy of Vaporization: 68.65 kJ/mol; (18)Boiling Point: 377.4 °C at 760 mmHg; (19)Vapour Pressure: 9.72E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)O
(2)InChI: InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)
(3)InChIKey: KAJBMCZQVSQJDE-UHFFFAOYSA-N

Product Name

Boc-Asp-OH

Synthetic route

N-Boc-L-aspartic acid Specification

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