1,3-Propanediol, 2-(bromomethyl)-2-(hydroxymethyl)-

Base Information

• Chemical Name: 1,3-Propanediol, 2-(bromomethyl)-2-(hydroxymethyl)-
• CAS No.: 19184-65-7
• Molecular Formula: C5H11 Br O3
• Molecular Weight: 199.045
• Hs Code.: 29055998
• European Community (EC) Number: 242-863-8
• NSC Number: 151735
• UNII: HC3TKC3RXC
• DSSTox Substance ID: DTXSID9066461
• Nikkaji Number: J99.593B
• Wikidata: Q81993041
• Mol file: 19184-65-7.mol

Synonyms:19184-65-7;2-(Bromomethyl)-2-(hydroxymethyl)propane-1,3-diol;1,3-Propanediol, 2-(bromomethyl)-2-(hydroxymethyl)-;2-(Bromomethyl)-2-(hydroxymethyl)-1,3-propanediol;Tris(hydroxymethyl)(bromomethyl)methane;EINECS 242-863-8;MFCD00135306;NSC 151735;NSC-151735;NSC151735;HC3TKC3RXC;2-Bromoethylidynetrimethanol;C5H11BrO3;C(CBr)(CO)(CO)CO;Pentaerythritol Monobromohydrin;SCHEMBL229830;C5-H11-Br-O3;DTXSID9066461;AKOS024355112;SB83879;1, 2-(bromomethyl)-2-(hydroxymethyl)-;CS-15963;B4057;CS-0079598;FT-0637806;2,2-Bis(hydroxymethyl)-3-hydroxypropyl bromide;2-bromomethyl-2-hydroxymethyl-1,3-propanediol;EN300-253697;T70490;2-bromomethyl-2-hydroxymethyl-propane-1,3-diol;A813528;J-012403;2-(Bromomethyl)-2-(hydroxymethyl)-1,3-propanediol #;2-(bromomethyl)-2-(hydroxymethyl)-propane-1,3-diol

Chemical Property of 1,3-Propanediol, 2-(bromomethyl)-2-(hydroxymethyl)-

Chemical Property:

• Melting Point: 75-77 °C(lit.)
• Refractive Index: 1.4630 (estimate)
• Boiling Point: 373.4°Cat760mmHg
• PKA: 13.53±0.10(Predicted)
• Flash Point: 179.6°C
• PSA: 60.69000
• Density: 1.703g/cm³
• LogP: -0.65540
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DCM, Ethyl Acetate, Methanol
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 197.98916
• Heavy Atom Count: 9
• Complexity: 64.3

Purity/Quality:

99% ^*data from raw suppliers

PentaerythritolMonobromohydrin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CO)(CO)CBr)O
• Uses: Pentaerythritol Monobromohydrin is a brominated flame retardant, previously shown to be a multisite carcinogen in experimental animals.

Technology Process of 1,3-Propanediol, 2-(bromomethyl)-2-(hydroxymethyl)-

There total 2 articles about 1,3-Propanediol, 2-(bromomethyl)-2-(hydroxymethyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 50.0%

Pentaerythritol (115-77-5) → 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol (19184-65-7)

Guidance literature:

With hydrogen bromide; In ethanol; acetic acid; toluene;

Reference yield:

→ 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol (19184-65-7)

Guidance literature:

Pentaerythrittetraacetat, 1) AlBr3, 160-180grad 2) CH3OH (Alkoholyse); neben Pentaerythritdibromid;

Reference yield: 70.0%

2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol (19184-65-7) → 3,3-bis(hydroxymethyl)oxetane (2754-18-9) + 2-(Hydroxymethyl)allyl alcohol (3513-81-3)

Guidance literature:

With base;

DOI:10.1023/A:1022112124741

upstream raw materials:

Pentaerythritol

Downstream raw materials:

3,3-bis(hydroxymethyl)oxetane

2-(Hydroxymethyl)allyl alcohol

5-bromomethyl-5-hydroxymethyl-2,2-diphenyl-[1,3]dioxane

(5-bromomethyl-2-phenyl-[1,3]dioxan-5-yl)-methanol

Refernces