Pentanedioic acid,3-amino- supplier

Name
3-AMINOPENTANEDIOIC ACID
EINECS
CAS No. 1948-48-7
Article Data10
CAS DataBase
Density 1.409 g/cm³
Solubility
Melting Point 233 °C (decomp)
Formula C₅H₉NO₄
Boiling Point 329.8 °C at 760 mmHg
Molecular Weight 147.131
Flash Point 153.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BETA-GLUTAMIC ACID;3-AMINOPENTANEDIOIC ACID;B-glutamic acid;3-aminoglutaric acid;3-azanylpentanedioic acid;Pentanedioic acid,3-aMino-
PSA 100.62000
LogP -0.03660

Synthetic route

: 1724-02-3
glutaconic acid

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
With ammonia Heating;	60%

: ammonium hydrogen trans-pent-2-ene-1,5-dioate

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
at 170℃; for 2h; Inert atmosphere;	32%

: 51865-85-1
1,3-diethyl 2-aminoglutarate

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
With hydrogenchloride
With barium dihydroxide
Multi-step reaction with 2 steps 2: aq. Ba(OH)2 View Scheme

: 92788-40-4
β-Acetamino-glutarsaeure-diaethylester

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
With barium dihydroxide

: 120341-34-6
(2,6-Dioxo-tetrahydro-pyran-4-yl)-carbamic acid tert-butyl ester

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
With hydrogenchloride 1) 130 deg C, 1 h, 2) 110 deg C; Yield given. Multistep reaction;

: 73178-43-5
(E)-diethyl glutaconate

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol; NH3 2: aqueous HCl View Scheme

: 105-50-0
diethyl 1,3-acetonedicarboxylate

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol / anschliessendes Behandeln mit amalgamiertem Aluminium und wenig H2O 2: Ba(OH)2 View Scheme

: 2049-67-4
diethyl glutaconate

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NH3 3: aq. Ba(OH)2 View Scheme

: 628-48-8
glutaconic acid

: 1948-48-7
3-aminopentanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ammonium hydroxide / water / 0 °C 2: 2 h / 170 °C / Inert atmosphere View Scheme

: 112545-50-3, 74819-83-3
ethyl (+/-)-(4-oxoazetidin-2-yl)acetate

A: 1948-48-7
3-aminopentanedioic acid

B: 77960-43-1
2-(4-oxoazetidin-2-yl)acetic acid

Conditions

Conditions	Yield
With Candida antarctica Lipase A In aq. phosphate buffer at 25℃; for 1h; pH=7.5; Catalytic behavior; Reagent/catalyst; Time; Enzymatic reaction;	A 60 %Spectr. B 40 %Spectr.

: 76127-63-4
4-<<(Benzyloxy)carbonyl>methyl>-2-azetidinone

A: 1948-48-7
3-aminopentanedioic acid

B: 77960-43-1
2-(4-oxoazetidin-2-yl)acetic acid

Conditions

Conditions	Yield
With Candida antarctica Lipase A In aq. phosphate buffer at 25℃; for 1h; pH=7.5; Reagent/catalyst; Time; Enzymatic reaction;	A 28 %Spectr. B 72 %Spectr.

: 1948-48-7
3-aminopentanedioic acid

: zinc(II) oxide

: zinc bis(hydrogen β-glutamate) monohydrate

Conditions

Conditions	Yield
In water under N2, stirring for 2 h at room temp., mixt. was heated to reflux for30 min, then cooled to 20°C; solvent was removed; elem. anal.;	99%

: 64-17-5
ethanol

: 1948-48-7
3-aminopentanedioic acid

: 51865-85-1
1,3-diethyl 2-aminoglutarate

Conditions

Conditions	Yield
Stage #1: ethanol; 3-aminopentanedioic acid With thionyl chloride at 20℃; Stage #2: With potassium carbonate In dichloromethane; water	97%
With thionyl chloride at 25℃;	97%
With thionyl chloride at 20℃;	97%

: 67-56-1
methanol

: 1948-48-7
3-aminopentanedioic acid

: 3-aminoglutaric acid dimethyl ester hydrochloride

Conditions

Conditions	Yield
With thionyl chloride at 0 - 20℃; for 3h;	93%
With thionyl chloride at 0℃; for 24h; Inert atmosphere;	697 mg
Stage #1: methanol; 3-aminopentanedioic acid With thionyl chloride at 0℃; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride	697 mg

: 1948-48-7
3-aminopentanedioic acid

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

: 85185-24-6, 127095-96-9
3-pentanedioic acid

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 120h;	90%
With sodium hydroxide In 1,4-dioxane; water at 10 - 20℃;	86%
With sodium hydroxide In water

: 1948-48-7
3-aminopentanedioic acid

: 501-53-1
benzyl chloroformate

: 17336-01-5
3-pentanedioic acid

Conditions

Conditions	Yield
	73%
With sodium hydroxide

: 4224-70-8
6-bromohexanoic acid

: 1948-48-7
3-aminopentanedioic acid

: N-(6'-bromo-1'-hexanoyl)-3-amino-1,5-pentanedioic acid

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane for 0.0833333h; pH > 8;	63%

: 1948-48-7
3-aminopentanedioic acid

: 937040-91-0
N-(2,6-diisopropylphenyl)-1,6,7,12-tetraphenoxyperylene-3,4:9,10-tetracarboxy-9,10-monoanhydride-3,4-monoimide

: 1093664-54-0
N-(2,6-diisopropylphenyl)-N'-(2-(1,3-dicarboxypropyl))-1,6,7,12-tetraphenoxyperylene-3,4:9,10-tetracarboxdiimide

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 130℃; for 24h; Inert atmosphere;	53%

: 1948-48-7
3-aminopentanedioic acid

: 367-31-7
4-fluoro-1,2-phenylenediamine

: 884047-88-5
C2HF3O2*C11H12FN3O2

Conditions

Conditions	Yield
With hydrogenchloride In water for 20h; Heating / reflux;	50%

: 590-28-3
potassium cyanate

: 1948-48-7
3-aminopentanedioic acid

: (2,6-dioxo-hexahydro-pyrimidin-4-yl)-acetic acid

: 1948-48-7
3-aminopentanedioic acid

: 605-65-2
5-(dimethylamino)naphth-1-ylsulfonyl chloride

: dansyliminodiacetic acid

Conditions

Conditions	Yield
With sodium carbonate In water at 20℃; Condensation;

: 1948-48-7
3-aminopentanedioic acid

: 1,5-bis(pentafluorophenyl)-N-(6'-bromo-1'-hexanoyl)-3-amino-1,5-pentanedioate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 63 percent / 2M NaOH / dioxane / 0.08 h / pH > 8 2: 80 percent / dicyclohexylcarbodiimide / ethyl acetate / 5 h / 0 °C View Scheme

: 1948-48-7
3-aminopentanedioic acid

: 60833-08-1
(2,6-Dioxo-tetrahydro-pyran-4-yl)-carbamic acid benzyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 73 percent 2: 73 percent / dicyclohexylcarbodiimide / ethyl acetate / 1.) 1 h, 0 deg C, 2.) 24 h, r.t. View Scheme

: 1948-48-7
3-aminopentanedioic acid

: 80902-50-7
DL-3-Benzyloxycarbonylamino-glutarsaeuremonobenzylester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH 2: (i) Ac2O, (ii) /BRN= 878307/ View Scheme

: 1948-48-7
3-aminopentanedioic acid

: 17471-98-6
DL-3-Benzyloxycarbonylamino-glutarsaeuremonobenzylester-mono-2.4.5-trichlorphenylester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aq. NaOH 2: (i) Ac2O, (ii) /BRN= 878307/ 3: DCC / ethyl acetate View Scheme

: 1948-48-7
3-aminopentanedioic acid

: 187536-84-1
C46H31NO5

: 1093664-58-4
C51H38N2O8

Conditions

Conditions	Yield
With zinc diacetate In 1-methyl-pyrrolidin-2-one at 160℃; for 16h; Inert atmosphere;

: 1948-48-7
3-aminopentanedioic acid

: 1345982-55-9
3-({3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}amino)pentanedioic acid trifluoroacetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: thionyl chloride / 20 °C 2.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 0.33 h / 20 °C 2.2: 20 °C 3.1: water; lithium hydroxide / tetrahydrofuran; methanol / 20 °C 3.2: pH 3 - 4 View Scheme

: 1948-48-7
3-aminopentanedioic acid

: 1345983-96-1
diethyl 3-({3-[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]propanoyl}amino)pentanedioate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: thionyl chloride / 20 °C 2.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane / 0.33 h / 20 °C 2.2: 20 °C View Scheme

: 1948-48-7
3-aminopentanedioic acid

: 1345982-69-5
3-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: thionyl chloride / 20 °C 2.1: acetic acid / 1,2-dichloro-ethane / 1 h / 20 °C 2.2: 20 °C 3.1: water; lithium hydroxide / tetrahydrofuran; methanol / 20 °C 3.2: pH 4 - 5 View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / 25 °C 2: acetic acid / 1,2-dichloro-ethane / 25 °C 3: water; lithium hydroxide / tetrahydrofuran; methanol / 0 - 25 °C View Scheme

: 1948-48-7
3-aminopentanedioic acid

: 1345984-00-0
diethyl 3-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: thionyl chloride / 20 °C 2.1: acetic acid / 1,2-dichloro-ethane / 1 h / 20 °C 2.2: 20 °C View Scheme
Multi-step reaction with 2 steps 1: thionyl chloride / 25 °C 2: acetic acid / 1,2-dichloro-ethane / 25 °C View Scheme

: 1948-48-7
3-aminopentanedioic acid

: 1345982-97-9
3-{[2-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)-2-oxoethyl]amino}pentanedioic acid trifluoroacetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 20 °C 2: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 60 °C 3: water; lithium hydroxide / tetrahydrofuran; methanol / 20 °C View Scheme

Pentanedioic acid,3-amino- Specification

The Pentanedioic acid,3-amino-, with the CAS registry number 1948-48-7, is also known as 3-Aminoglutaric acid. This chemical's molecular formula is C₅H₉NO₄ and molecular weight is 147.13. What's more, its systematic name and its IUPAC name are the same which is called 3-Aminopentanedioic acid.

Physical properties about Pentanedioic acid,3-amino-: (1)ACD/LogP: -1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.84; (4)ACD/LogD (pH 7.4): -4.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 31.83 cm³; (15)Molar Volume: 104.3 cm³; (16)Polarizability: 12.62×10^-24cm³; (17)Surface Tension: 69.2 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 153.3 °C; (20)Enthalpy of Vaporization: 62.91 kJ/mol; (21)Boiling Point: 329.8 °C at 760 mmHg; (22)Vapour Pressure: 3.4E-05 mmHg at 25 °C.

Preparation of Pentanedioic acid,3-amino-: this chemical can be prepared by Pentenedioic acid. The reaction occurs with reagent NH₃ and other condition of heating. The yield is 60 %.

Uses of Pentanedioic acid,3-amino-: it is used to produce other chemicals. For example, it is used to produce N-Benzyloxycarbonyl 3-amino-glutaric acid. This reaction needs reagent NaOH. The yield is 73 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(N)CC(=O)O
(2) InChI: InChI=1/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
(3) InChIKey: BBJIPMIXTXKYLZ-UHFFFAOYAG

Product Name

3-AMINOPENTANEDIOIC ACID

Synthetic route

Pentanedioic acid,3-amino- Specification

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