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3-Oxetanol, 3-Methyl-, also known as 3-Methyloxetane, is a colorless liquid chemical compound with the molecular formula C5H10O2. It possesses a faint, ethereal odor and is widely recognized for its applications as a solvent, in the production of pharmaceuticals, and in the synthesis of various organic compounds. Its pleasant aroma also makes it a potential candidate for use in the flavor and fragrance industry, as well as a versatile reagent in chemical reactions and synthesis processes.

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  • 162816-08-2 Structure
  • Basic information

    1. Product Name: 3-Oxetanol, 3-Methyl-
    2. Synonyms: 3-Oxetanol, 3-Methyl-;3-Methyloxetan-3-ol
    3. CAS NO:162816-08-2
    4. Molecular Formula: C4H8O2
    5. Molecular Weight: 88.10512
    6. EINECS: 200-528-9
    7. Product Categories: N/A
    8. Mol File: 162816-08-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 136.3±8.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.137±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 13.75±0.20(Predicted)
    10. CAS DataBase Reference: 3-Oxetanol, 3-Methyl-(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Oxetanol, 3-Methyl-(162816-08-2)
    12. EPA Substance Registry System: 3-Oxetanol, 3-Methyl-(162816-08-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 162816-08-2(Hazardous Substances Data)

162816-08-2 Usage

Uses

Used in Pharmaceutical Industry:
3-Oxetanol, 3-Methylis used as a solvent and intermediate in the synthesis of various pharmaceutical compounds. Its ability to dissolve a wide range of substances makes it a valuable component in the production of medications and other healthcare products.
Used in Flavor and Fragrance Industry:
3-Oxetanol, 3-Methylis used as a fragrance ingredient in perfumes and other scented products due to its pleasant aroma. Its unique scent profile contributes to the creation of various fragrances and enhances the sensory experience of consumers.
Used in Organic Chemistry:
3-Oxetanol, 3-Methylserves as a versatile reagent in various chemical reactions and synthesis processes. Its ability to participate in a range of organic transformations makes it an essential component in the development of new chemical compounds and materials.
Used in Solvent Applications:
3-Oxetanol, 3-Methylis used as a solvent in various industrial processes, including the production of paints, coatings, and adhesives. Its solubility properties allow it to dissolve a wide range of substances, making it a valuable asset in the manufacturing of various products.

Check Digit Verification of cas no

The CAS Registry Mumber 162816-08-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,2,8,1 and 6 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 162816-08:
(8*1)+(7*6)+(6*2)+(5*8)+(4*1)+(3*6)+(2*0)+(1*8)=132
132 % 10 = 2
So 162816-08-2 is a valid CAS Registry Number.

162816-08-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Methyloxetan-3-ol

1.2 Other means of identification

Product number -
Other names HT843

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:162816-08-2 SDS

162816-08-2Relevant articles and documents

Enantioselective Desymmetrization of 3-Substituted Oxetanes: An Efficient Access to Chiral 3,4-Dihydro-2H-1,4-benzoxazines

Bhosale, Viraj A.,Nigríni, Martin,Dra?ínsky, Martin,Císa?ová, Ivana,Vesely, Jan

supporting information, p. 9376 - 9381 (2021/12/09)

Herein, we describe a versatile transition metal/oxidant free synthesis of the chiral 2H-1,4-benzoxazines through chiral phosphoric acid (CPA) catalyzed enantioselective desymmetrization of prochiral oxetanes (30 examples) in up to 99% yield and 99% enantioselectivity under mild reaction conditions. The reported strategy not only complements the conventional 2H-1,4-benzoxazine synthetic strategies but also provides access to key intermediates of therapeutic candidates, i.e., prostaglandin D2 receptor antagonist and M1 positive allosteric modulator (PAM) compound VU0486846.

SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF

-

Paragraph 0614-0616, (2020/12/08)

A compound is shown in formula (I). The derivatives of the compound include a stereoisomer, a pharmaceutically acceptable salt, a solvate, a prodrug, a metabolite, a deuterated derivative. The compound is a structurally novel substituted imidazole formate derivative. Substituted imidazole formate derivatives are used in preparing a drug with sedative, hypnotic and/or anesthetic effects, as well as a drug that can control the state of epilepsy. The compound has a good inhibitory effect on the central nervous system, and provides a new option for clinical screening of and/or preparation of a drug with sedative, hypnotic and/or anesthetic effects and controlling the state of epilepsy.

THAILANSTATIN ANALOGS

-

Paragraph 0411; 0412, (2019/04/05)

The invention provides novel cytotoxic compounds and cytotoxic conjugates comprising these cytotoxic compounds and cell-binding agents. More specifically, this invention relates to novel thailanstatin A analogs, useful as cytotoxic small molecule toxins i

Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors

Zak, Mark,Yuen, Po-Wai,Liu, Xiongcai,Patel, Snahel,Sampath, Deepak,Oeh, Jason,Liederer, Bianca M.,Wang, Weiru,O'Brien, Thomas,Xiao, Yang,Skelton, Nicholas,Hua, Rongbao,Sodhi, Jasleen,Wang, Yunli,Zhang, Lei,Zhao, Guiling,Zheng, Xiaozhang,Ho, Yen-Ching,Bair, Kenneth W.,Dragovich, Peter S.

, p. 8345 - 8368 (2016/10/03)

NAMPT inhibitors may show potential as therapeutics for oncology. Throughout our NAMPT inhibitor program, we found that exposed pyridines or related heterocyclic systems in the left-hand portion of the inhibitors are necessary pharmacophores for potent cellular NAMPT inhibition. However, when combined with a benzyl group in the center of the inhibitors, such pyridine-like moieties also led to consistent and potent inhibition of CYP2C9. In an attempt to reduce CYP2C9 inhibition, a parallel synthesis approach was used to identify central benzyl group replacements with increased Fsp3. A spirocyclic central motif was thus discovered that was combined with left-hand pyridines (or pyridine-like systems) to provide cellularly potent NAMPT inhibitors with minimal CYP2C9 inhibition. Further optimization of potency and ADME properties led to the discovery of compound 68, a highly potent NAMPT inhibitor with outstanding efficacy in a mouse tumor xenograft model and lacking measurable CYP2C9 inhibition at the concentrations tested.

NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS

-

Page/Page column 67, (2016/04/20)

This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

Hepatitis C virus inhibitors

-

Page/Page column 394, (2017/01/23)

Hepatitis C virus inhibitors having the general formula (I) are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE

-

Page/Page column 13, (2015/11/11)

The adaptor associated kinase 1 (AAK1) inhibitor 3-methyloxetan-3-yl-4-(3-(2-methoxypyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate: and pharmaceutically acceptable salts and solid forms thereof are disclosed. Compositions comprising t

Hepatitis C Virus Inhibitors

-

Page/Page column, (2013/05/21)

Hepatitis C virus inhibitors having the general formula (I) are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

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