1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene) (HCID 96831)

名称と識別子

優先名称: 1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)
IUPAC: 1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
現地名: 4,4'-ジメトキシトリチルクロリド
英語名: 4,4'-Dimethoxytrityl chloride
分子式: C21H19ClO2
分子量: 338.83

名称と別名

1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-EINECS 255-002-61,1'-(chlorophenylmethylene)bis[4-methoxybenzene]DTXSID50193618Benzene, 1,1'-(chlorophenylmethylene)bis(4-methoxy-NSC 89782RefChem:409090DTXCID90116109255-002-64,4'-Dimethoxytrityl chloride40615-36-9

名称をさらに表示

4,4'-ジメトキシトリチルクロリド(4,4'-ジメトキシトリチル)クロリドα,α-ビス(4-メトキシフェニル)ベンジルクロリド1,1'-(クロロフェニルメチレン)ビス(4-メトキシベンゼン)ビス(4-メトキシフェニル)フェニルクロロメタンα-クロロ-α-フェニル-α-(4-メトキシフェニル)-4-メトキシトルエンフェニルビス(4-メトキシフェニル)クロロメタン4-[クロロ(4-メトキシフェニル)フェニルメチル]-1-メトキシベンゼンビス(4-メトキシフェニル)フェニルメチルクロリド4,4’-ジメトキシトリトリルクロライド4,4'-ジメトキシトリチルクロリド塩化4,4′-ジメトキシトリチル4,4'ジメトキシトリチル塩化物４［クロロ（４メトキシフェニル）フェニルメチル］１メトキシベンゼン塩化4,4′‐ジメトキシトリチル4,4′-ジメトキシトリチルクロリド4,4′-ジメトキシトリフェニルメチルクロリドクロロフェニルビス(4-メトキシフェニル)メタン1-[クロロ(4-メトキシフェニル)フェニルメチル]-4-メトキシベンゼン(4,4′-ジメトキシトリチル)クロリドDMTrCl4,4-DIMETHOXYTRITYL CHLORIDEDimeDimethoxy Trityl ChlorideDMTRT-CL4,4'-Dimethoxytrityl4,4' -dimethoxy triphenylchloromethane1-[chloro(4-Methoxyphenyl)benzyl]-4-Methoxybenzene

DMT-Cl4,4'-Dimethoxytriphenylmethyl chlorideMFCD00008409C21H19ClO24,4'-(chloro(phenyl)methylene)bis(methoxybenzene)1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene1-[chloro-(4-methoxyphenyl)-phenyl-methyl]-4-methoxy-benzene1-[chloro(4-methoxyphenyl)phenylmethyl]-4-methoxybenzene

データベース識別子

CAS: 40615-36-9
PubChem CID: 96831
DTXSID: DTXSID50193618
EC Number: 255-002-6
Nikkaji: J208.384A

物性

構造計算による物性

XLogP: 5.4
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 24
形式電荷: 0
複雑度: 340

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 123 · 123-125 °C
沸点: 455.07 °C · 455.07°C (rough estimate)
比重(密度): 1.0887 · 1.0887 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 20℃
屈折率: 1.533 · 1.5330 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
外見: 粉
色: ピンク
水溶解度: クロロホルム、メタノールに可溶。水に部分的に溶ける
BRN: 2471942 · 2471942
安定性: 吸湿性、湿気に敏感
InChI: 1S/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3
InChIKey: JBWYRBLDOOOJEU-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(Cl)(c2ccccc2)c3ccc(OC)cc3
LogP: 5.74 at · 5.74 at 20℃
CAS データベース: 40615 · 40615-36-9(CAS DataBase Reference)
NISTの化学物質情報: Methane, chlorobis(p-methoxyphenyl)phenyl-(40615-36-9)

化学的性質

化学的特性4,4'-Dimethoxytrityl chloride is pink powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (44.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-

Hazard Traits - Bioaccumulation; Environmental Persistence

Status: Active Update: 14-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24036

Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-: Human health tier I assessment

Hazard Classes and CategoriesSkin Corr. 1 (44.4%)

安全データ

F: 10-21
wgk: 3
ridadr: 3261
毒性: A hallucinogenic (psychedelic) agent that may catalyze the onset of emotional problems or psychosis in predisposed individuals. DMT is perhaps one of the least studied of the hallucinogens. It causes perceptual alterations and illusions, including changes in touch, taste, and odor. The thinking process is substantially altered; there are hallucinations and loss of contact with reality. There have been no overdose deaths attributed to the direct effects of DMT. The drug is very short-acting, with a duration of effect of about half an hour or less.
hs_code: 29093090
risk_code: 36/37/38-34
化審法: (4)-1881
hazard_code: Xi
safety_code: 22-24/25-37/39-26-36-45-36/37/39
Hazard Classifications: Aquatic Chronic 2Eye Dam. 1Skin Corr. 1BSkin Sens. 1STOT SE 3
ストレージクラス: 8B - Non-combustible corrosive hazardous materials

化学と産業

応用分野

用途有機合成原料。

使用4,4'-Dimethoxytrityl chloride is used as a protective reagent for oligonucleotide synthesis. It is used for selective protection and deprotection procedures for thiol and hydroxy groups in nucleoside derivatives.

調製方法 · 1 件

純化方法DMT crystallises from cyclohexane/acetyl chloride as the hydrochloride. Dry it over KOH pellets in a desiccator. When dissolved in *C6H6 and air is blown through, HCl is removed. It crystallises from Et2O. [Baeyer & Villiger Chem Ber 36 2788 1903, Smith et al. J Am Chem Soc 84 430 1962, Smith et al. J Am Chem Soc 85 3821 1963.] Ifit has hydrolysed considerably (see OH in IR), then repeat the crystallisation from cyclohexane/acetyl chloride — excess of AcCl is removed in a vacuum over KOH, then recrystallise it from Et2O. [Beilstein 6 IV 1042.]