delta-1-Pyrroline-5-carboxylate supplier

Name
3,4-dihydro-2H-pyrrole-2-carboxylic acid
EINECS
CAS No. 2906-39-0
Article Data5
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point 140-142 °C (decomp)(Solv: water (7732-18-5))
Formula C₅H₇NO₂
Boiling Point 304.1 °C at 760 mmHg
Molecular Weight 113.116
Flash Point 137.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Pyrroline-5-carboxylicacid (6CI,7CI,8CI);DL-1-Pyrroline-5-carboxylic acid;D1-Pyrroline-5-carboxylic acid;delta-1-Pyrroline-5-carboxylate;
PSA 49.66000
LogP -0.26020

Synthetic route

: 41419-12-9
3,3-dichloro-piperidin-2-one

: 2906-39-0
Δ1-pyrroline-5-carboxylate

Conditions

Conditions	Yield
With barium dihydroxide

: 53908-65-9
4-acetamido-4,4-bis(ethyloxycarbonyl)butyraldehyde

: 2906-39-0
Δ1-pyrroline-5-carboxylate

Conditions

Conditions	Yield
With hydrogenchloride

: 41419-12-9
3,3-dichloro-piperidin-2-one

: 7732-18-5
water

barium hydroxide: barium hydroxide

: 2906-39-0
Δ1-pyrroline-5-carboxylate

...Expand

: 609-36-9
rac-Pro-OH

: 2906-39-0
Δ1-pyrroline-5-carboxylate

Conditions

Conditions	Yield
With 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-1,4-benzoquinone; proline dehydrogenase R1 from Deinococcus radiodurans In aq. phosphate buffer at 23℃; pH=7.5; Kinetics; Concentration; Reagent/catalyst; Enzymatic reaction;

: 504-91-6, 1190-94-9, 3506-26-1, 6000-08-4, 18899-29-1, 18899-30-4, 18899-31-5, 52153-41-0, 78088-29-6
D-glycero-D-guloheptonic acid

: 2906-39-0
Δ1-pyrroline-5-carboxylate

Conditions

Conditions	Yield
With periodate

: 2906-39-0
Δ1-pyrroline-5-carboxylate

: 64-17-5
ethanol

: 529-23-7
2-aminobenzaldehyde

: 108483-19-8
1-carboxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazolinylium betaine

...Expand

: 2906-39-0
Δ1-pyrroline-5-carboxylate

: 153790-69-3
(2S,4R)-<4-2H1>-proline

Conditions

Conditions	Yield
With (4S-2H)-NADH; NosF gene from Escherichia colie; 2-amino-2-hydroxymethyl-1,3-propanediol In water at 42℃;

: 2906-39-0
Δ1-pyrroline-5-carboxylate

: 147-85-3
L-proline

Conditions

Conditions	Yield
With (4R-2H)-NADH; NosF gene from Escherichia colie; 2-amino-2-hydroxymethyl-1,3-propanediol In water at 42℃;
With 1,4-dihydronicotinamide adenine dinucleotide; NosF gene from Escherichia coli; 2-amino-2-hydroxymethyl-1,3-propanediol In water at 42℃; pH=8; Enzyme kinetics;

delta-1-Pyrroline-5-carboxylate Specification

The IUPAC name of delta-1-Pyrroline-5-carboxylate is 3,4-dihydro-2H-pyrrole-2-carboxylic acid. With the CAS registry number 2906-39-0, it is also named as Pyrroline-5-carboxylate. In addition, its molecular formula is C₅H₇NO₂ and molecular weight is 113.1146.

The other characteristics of delta-1-Pyrroline-5-carboxylate can be summarized as: (1)ACD/LogP: -1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.17; (4)ACD/LogD (pH 7.4): -4.34; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.66 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 27.79 cm³; (15)Molar Volume: 83.4 cm³; (16)Polarizability: 11.01×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 137.7 °C; (20)Enthalpy of Vaporization: 59.88 kJ/mol; (21)Boiling Point: 304.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000206 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C1/N=C\CC1
(2)InChI: InChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
(3)InChIKey: DWAKNKKXGALPNW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
(5)Std. InChIKey: DWAKNKKXGALPNW-UHFFFAOYSA-N

Product Name

3,4-dihydro-2H-pyrrole-2-carboxylic acid

Synthetic route

delta-1-Pyrroline-5-carboxylate Specification

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