1,3-Propanediol is an organic compound that can be used in the synthesis of various drugs, new polyester PTT, pharmaceutical intermediates and new antioxidants.

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Quality Control of 1,3-Propanediol Purity: 99% SDS Specification

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Product Citations

High Molecular Weight Biobased Long-Chain Aliphatic Polyesters with Degradability: Insights into Mimicking Polyethylene

Mahadas, Nagarjuna A ; Suhail, Amir ; Sobczak, Martin Taylor ; Li, Xiaomeng ; Chen, Kezhi ; Song, Kenan , et al.

DOI: 10.1021/acs.macromol.5c00176 Macromolecules,2025,58(8):4070-4081.

Abstract: Synthesis of high molecular weight long-chain aliphatic polyesters with mechanical properties similar to polyethylene is challenging. This study presents high molecular weight biobased polyesters synthesized via a three-step process involving transesterification, polycondensation, and postcondensation, using biobased 1,18-dimethyl octadecanedioate (C₁₈-diester) and natural diols ranging from C₃ to C₁₂. All polyesters achieved weight-average molecular weights over 110 000 g/mol. The crystalline structures and thermomechanical properties of polyesters were largely influenced by the chain length of diols, with an odd−even effect observed. These polyesters exhibit tensile properties mimicking HDPE and LDPE, which allowed successful processing into filaments and 3D-printed objects. Although these polyesters exhibit semicrystalline structures similar to polyethylene, their melting temperatures are significantly lower, especially compared to HDPE. Chemical recycling of a representative polyester demonstrated its ability to undergo depolymerization and repolymerization, with the recovered polyesters displaying comparable mechanical properties to the virgin one. Coarse-grained molecular dynamic simulations of these polyesters demonstrated crystallization of the materials upon cooling from melts and reproduced the decrease in crystallization temperature with an increase in the ester-to-methylene ratio observed in the experiments. The proposed modeling approach allowed us to track the growth of crystalline domains upon cooling from the melt by characterizing the local nematic order parameter to quantify the effect of ester groups on the crystallization process. This study addresses common challenges that complicate synthesis and polymer processing, providing useful guidance for achieving reproducible polyester preparation.

Purchased from AmBeed: 629-41-4 ; 1472-93-1 ; 504-63-2 ; 112-47-0

Product Details of 1,3-Propanediol

CAS No. :	504-63-2
Formula :	C₃H₈O₂
M.W :	76.09
SMILES Code :	OCCCO
MDL No. :	MFCD00002949
InChI Key :	YPFDHNVEDLHUCE-UHFFFAOYSA-N
Pubchem ID :	10442

Safety of 1,3-Propanediol

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315
Precautionary Statements:	P264-P280-P302+P352-P362+P364-P332+P313

Application In Synthesis of 1,3-Propanediol

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 504-63-2 ]

[ 504-63-2 ] Synthesis Path-Downstream 1~35

1
[ 24310-36-9 ]
[ 504-63-2 ]
[ 54620-86-9 ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1974,p. 1828 - 1833.

2
[ 123-75-1 ]
[ 504-63-2 ]
[ 19748-66-4 ]
[ 1012-29-9 ]

References: [1]Journal of Organometallic Chemistry,1989,vol. 373,p. 343 - 352.

3
[ 3616-56-6 ]
[ 504-63-2 ]
[ 4740-66-3 ]

References: [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 577 - 579.

4
[ 5095-09-0 ]
[ 504-63-2 ]
[ 55093-61-3 ]

References: [1]Tetrahedron,1974,vol. 30,p. 3663 - 3667.

5
[ 112-82-3 ]
[ 504-63-2 ]
[ 23377-40-4 ]

Yield	Reaction Conditions	Operation in experiment
88.4%	With potassium hydroxide; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 20℃; for 16h;	In a 1000ml round bottom flask,Add n-hexadecyl bromide (2) 97.5 g (0.32 mol, 1 eq), 1,3-propanediol (3) 73.5 g (0.96 mol, 3 eq),DMSO 200ml,DMF 200ml andPotassium hydroxide 72g (1.28mol, 4eq), stirred at room temperature16h.After completion of the reaction, 500 ml of water was added to the reaction solution, then the pH was adjusted to neutrality with a 5M hydrochloric acid solution, and the mixture was extracted with ethyl acetate (500 ml×2). The organic layers were combined and the organic layer was washed with saturated brine (500 ml×2). ), collecting organic phase,Dry with 10 g of anhydrous sodium sulfate, filter, and concentrate the filtrate under reduced pressure to obtain 102 g of a yellow solid.Recrystallization of petroleum ether yielded 85 g of white flake-like crystals with a yield of 88.4%.
77%		General procedure: To a solution of 1,3-propanediol (19) (6.51 mL, 90 mmol) in dry DMF (40 mL) was added NaH (60% oil dispersion; 1.20 g, 30 mmol) in installments at 0 C and the mixture was stirred at room temperature for 10 min. Dodecyl bromide (4.80 mL, 20 mmol) and KI (3.32 g, 20 mmol) were added and the mixture was heated at 95 C for 4 h. After cooling, the mixture was poured into ice-water and extracted with AcOEt. The extracts were washed with brine, dried over Na2SO4 and evaporated. The resulting residue was purified by flash CC (silica gel; AcOEt/hexane, 1:2) to provide dodecyl ether 20a (3.38 g, 69%). Tetradecyl ether 20b (79%) and hexadecyl ether 20c (77%) were similarly prepared from 1,3-propanediol (19).
66.7%	With sodium hydroxide; In tetrahydrofuran; dimethyl sulfoxide; at 20℃; for 24h;	Add hexadecane bromide (1.52 g, 5 mmol) to the reaction flask.And 1,3-propanediol (1.14 g, 15 mmol),Add 5 ml of dimethyl sulfoxide and 5 ml of tetrahydrofuran to dissolve.Add sodium hydroxide (800mg, 20mmol)The reaction was carried out for 24 hours at room temperature.Dilute with 10 ml of water,Adjust the pH to neutral with 2M dilute hydrochloric acid,Extracted with ethyl acetate 3 times,Combine the organic phase,Washed with saturated brine and concentrated.Purified by silica gel column chromatography to give compound 1.0g, Yield: 66.7%.

References: [1]Patent: CN107936059,2018,A .Location in patent: Paragraph 0011; 0029; 0030.
[2]Bioorganic and Medicinal Chemistry,2012,vol. 20,p. 3658 - 3665.
[3]Patent: CN109485676,2019,A .Location in patent: Paragraph 0311; 0314; 0315; 0316.
[4]Phosphorus, Sulfur and Silicon and the Related Elements,2002,vol. 177,p. 2887 - 2893.
[5]Chemistry and Physics of Lipids,1996,vol. 83,p. 77 - 85.
[6]Molecular Therapy - Nucleic Acids,2017,vol. 8,p. 158 - 168.

6
[ 66127-01-3 ]
[ 504-63-2 ]
[ 397266-03-4 ]

References: [1]Synlett,2001,p. 1629 - 1631.

7
[ 201230-82-2 ]
[ 577-91-3 ]
[ 129397-83-7 ]
[ 536-74-3 ]
[ 504-63-2 ]
5-[2-(1-(S)-benzyl-2-hydroxy-ethylcarbamoyl)-2-phenyl-ethyl]-2-phenyl-7-phenylethynyl-benzofuran-3-carboxylic acid, 3-hydroxypropyl ester [ No CAS ]