CAS No.36840-85-4,1,5-Pentanediol diacrylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36840-85-4
Name:	1,5-Pentanediol diacrylate
Article Data:	11

Formula:	C₁₁H₁₆O₄
Molecular Weight:	212.246
Synonyms:	2-Propenoicacid, 1,5-pentanediyl ester (9CI);1,5-Pentamethylene diacrylate;Pentamethylene diacrylate;CCRIS 7043;AC1L3PPD;AC1Q67HL;KST-1B3820;CID93195;
EINECS:	253-235-8
Density:	1.024 g/cm³
Boiling Point:	285.1 °C at 760 mmHg
Flash Point:	134.4 °C
PSA:	52.60000
LogP:	1.61510

Synthetic route

: 590-92-1
3-Bromopropionic acid

: 111-29-5
1 ,5-pentanediol

: 36840-85-4
pentamethylene 1,5-diacrylate

Conditions

Conditions	Yield
With triethylamine In toluene	75%

: 111-29-5
1 ,5-pentanediol

: 814-68-6
acryloyl chloride

: 36840-85-4
pentamethylene 1,5-diacrylate

Conditions

Conditions	Yield
With triethylamine; 2-hydroxyresorcinol In benzene at 50℃; for 0.5h;	61%
With triethylamine In dichloromethane at 0 - 20℃; for 6h; Inert atmosphere;
With triethylamine In dichloromethane at 20℃; Cooling with ice;

: 53219-90-2
pentane-1,5-diyl bis(3-bromopropionate)

: 36840-85-4
pentamethylene 1,5-diacrylate

Conditions

Conditions	Yield
With triethylamine; hydroquinone In benzene Heating;

: cisatracurium benzenesulfonate

A: 36840-85-4
pentamethylene 1,5-diacrylate

B: 85-63-2
(R)-laudanosine

Conditions

Conditions	Yield
In phosphate buffer at 37℃; pH=7.4; Kinetics; Further Variations:; pH-values; Elimination; Hofmann;

: 111-29-5
1 ,5-pentanediol

: 36840-85-4
pentamethylene 1,5-diacrylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: Et3N, benzene-1,4-diol / benzene / Heating View Scheme

: 111-29-5
1 ,5-pentanediol

: 292638-85-8
acrylic acid methyl ester

A: 36840-85-4
pentamethylene 1,5-diacrylate

B: 57198-94-4
hydroxypentyl acrylate

Conditions

Conditions	Yield
With Novozyme 435 In tert-Amyl alcohol at 50℃; for 120h; Inert atmosphere; Molecular sieve; Enzymatic reaction;

...Expand

: 111-29-5
1 ,5-pentanediol

: 292638-85-8
acrylic acid methyl ester

: 36840-85-4
pentamethylene 1,5-diacrylate

Conditions

Conditions	Yield
toluene-4-sulfonic acid at 90 - 100℃; Inert atmosphere;

: 36840-85-4
pentamethylene 1,5-diacrylate

: (R)-tetrahydropapaverine N-acetyl-L-leucine salt

: 144-62-7
oxalic acid

: C53H72N2O12(2+)*C2O4(2-)

Conditions

Conditions	Yield
Stage #1: pentamethylene 1,5-diacrylate; (R)-tetrahydropapaverine N-acetyl-L-leucine salt With acetic acid; sodium hydroxide In water; toluene at 55 - 70℃; for 4h; pH=10; Stage #2: oxalic acid In acetone	85.1%

...Expand

: 36840-85-4
pentamethylene 1,5-diacrylate

: 71962-74-8
Ethyl nipecotate

: 145487-64-5
N,N-4,10-dioxa-3,11-dioxotridecylene-1,13-diyl-bis(3-ethoxycarbonylpiperidine)

Conditions

Conditions	Yield
With acetic acid at 70℃; for 16.5h;	84%

: 36840-85-4
pentamethylene 1,5-diacrylate

: 144-62-7
oxalic acid

: 50896-90-7
(-) N-norlaudanosine

: C51H66N2O12*2C2H2O4

Conditions

Conditions	Yield
Stage #1: (-) N-norlaudanosine With sodium hydroxide In water; toluene at 55℃; pH=10; Stage #2: pentamethylene 1,5-diacrylate With acetic acid In water; toluene at 70℃; for 4h; Stage #3: oxalic acid In acetone	80.4%

...Expand

Raw Materials

814-68-6

111-29-5

53219-90-2

590-92-1

Downstream Products

64228-78-0

Total:125 Page 1 of 4 1 2 3 4 Next>>

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Specification

The 1,5-Pentanediol diacrylate with CAS registry number of 36840-85-4 is also known as Pentamethylene diacrylate. The IUPAC name is 5-Prop-2-enoyloxypentyl prop-2-enoate. It belongs to product categories of Monomer. Its EINECS registry number is 253-235-8. In addition, the formula is C₁₁H₁₆O₄ and the molecular weight is 212.24.

Physical properties about 1,5-Pentanediol diacrylate are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.04; (6)ACD/BCF (pH 7.4): 41.04; (7)ACD/KOC (pH 5.5): 496.97; (8)ACD/KOC (pH 7.4): 496.97; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 56.01 cm³; (14)Molar Volume: 207.2 cm³; (15)Surface Tension: 33.1 dyne/cm; (16)Density: 1.024 g/cm³; (17)Flash Point: 134.4 °C; (18)Enthalpy of Vaporization: 52.42 kJ/mol; (19)Boiling Point: 285.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00285 mmHg at 25 °C.

Preparation of 1,5-Pentanediol diacrylate: it is prepared by reaction of acryloyl chloride with pentane-1,5-diol. The reaction needs reagent triethylamine, pyrogallol and solvent benzene at the temperature of 50 °C for 30 minutes. The yield is about 61%.

1,5-Pentanediol diacrylate is prepared by reaction of acryloyl chloride with pentane-1,5-diol.

Uses of 1,5-Pentanediol diacrylate: it is used to produce 3-piperidin-1-yl-propionic acid 5-(3-piperidin-1-yl-propionyloxy)-pentyl ester by reaction with piperidine. The reaction occurs with reagent glacial acetic acid at 70 °C for 16.5 hours. The yield is about 79%.

1,5-Pentanediol diacrylate is used to produce 3-piperidin-1-yl-propionic acid 5-(3-piperidin-1-yl-propionyloxy)-pentyl ester by reaction with piperidine.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C=CC(=O)OCCCCCOC(=O)C=C
2. InChI: InChI=1S/C11H16O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2/h3-4H,1-2,5-9H2
3. InChIKey: XAMCLRBWHRRBCN-UHFFFAOYSA-N